NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.93
Van der Waals volume 633.51
Polar Surface Area 104.06
Van der Waals Surface Area 1017.78
Refractivity 182.38

Top
ELEMENTAL PROPERTIESExact Mass 632.408
Isotope Formula C40H56O6
Dot Disconnected Formula C40H56O6
Dot Disconnected Isotope Formula C40H56O6
Composition C (75.91%), H (8.92%), O (15.17%)
Isotope Composition C (75.91%), H (8.92%), O (15.17%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count102
Aliphatic Atom Count 40
Aliphatic Bond Count 45
Aromatic Bond Count 6
Asymmetric Atom Count 10
Bond Count 107
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 10
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.