Class

Type

Log(P) Contribution Description

Comment

Value

Fragment

1

Diazole-N-subst

Measured

-1.690

Fragment

2

Aromatic amide

Measured

-2.000

Fragment

3

Aromatic Nitrogen (type 2)

Measured

-1.140

Fragment

4

Ether

Measured

-0.610

Fragment

5

Sulfonamide

Measured

-2.090

Fragment

6

Tertiary Amine

Measured

-2.370

Isolating

Carbon

11Aliphatic isolating carbons

2.145

Isolating

Carbon

10 Aromatic isolating carbons

1.300

Fusion

Carbon

1 extended aromatic iso-C

0.100

Fusion

Carbon

3 extended hetero- aromatic iso-C

0.930

Exfragment

Hydrog

29 Hydrogens on isolating carbons

6.583

Exfragment

Bonds

4 chain and 6 allicyclic (net)

Combined

-1.020

Benzylbond

MH5MCY

1 Benzyl bonds to multihetro-5rings

-0.380

Proximity

Y-CC-Y

1 pair over bonds 29-28(AvWt=.150)

0.699

Proximity

Y-CC-Y

1 pair over bonds 33-32(AvWt=.150)

0.699

Electronic

SIGRHO

3 Potential interactions 3.00 used

WithinRing

1.030

Electronic

SIGRHO

4 Potential interactions 1.69 used

FusedRings

0.544

Electronic

SIGFHO

6 Potential interactions 0.46 used

JoinedRings

0.034

Ortho

RING 1

Normal Ortho interaction

-0.050

Ortho

RING 2

Normal Ortho interaction

-0.560

Result

DB=16

All Fragments Measured

CLOGP=3.05

2.094