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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.99
Van der Waals volume 463.26
Polar Surface Area 29.46
Van der Waals Surface Area 813.43
Refractivity 130.33

Top
ELEMENTAL PROPERTIESExact Mass 416.365
Isotope Formula C28H48O2
Dot Disconnected Formula C28H48O2
Dot Disconnected Isotope Formula C28H48O2
Composition C (80.71%), H (11.61%), O (7.68%)
Isotope Composition C (80.71%), H (11.61%), O (7.68%)
Donor Sites 1
Donor Count 1
Acceptor Sites 2
Acceptor Count 2


Top
TOPOLOGICAL PROPERTIESAtom Count78
Aliphatic Atom Count 24
Aliphatic Bond Count 25
Aromatic Bond Count 6
Asymmetric Atom Count 3
Bond Count 79
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 3
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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