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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.95
Van der Waals volume 456.2
Polar Surface Area 105.45
Van der Waals Surface Area 715.46
Refractivity 142.79

 Top
ELEMENTAL PROPERTIESExact Mass 504.215
Isotope Formula C30H32O7
Dot Disconnected Formula C30H32O7
Dot Disconnected Isotope Formula C30H32O7
Composition C (71.41%), H (6.39%), O (22.2%)
Isotope Composition C (71.41%), H (6.39%), O (22.2%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count69
Aliphatic Atom Count 25
Aliphatic Bond Count 29
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 73
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 2
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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