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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.97
Van der Waals volume 514.21
Polar Surface Area 152.36
Van der Waals Surface Area 822.7
Refractivity 143.73

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ELEMENTAL PROPERTIESExact Mass 532.304
Isotope Formula C30H44O8
Dot Disconnected Formula C30H44O8
Dot Disconnected Isotope Formula C30H44O8
Composition C (67.64%), H (8.33%), O (24.03%)
Isotope Composition C (67.64%), H (8.33%), O (24.03%)
Donor Sites 5
Donor Count 5
Acceptor Sites 11
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 38
Aliphatic Bond Count 41
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 85
Chain Atom Count 21
Chain Bond Count 21
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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