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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.95
Van der Waals volume 549.01
Polar Surface Area 120.75
Van der Waals Surface Area 894.55
Refractivity 148.45

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ELEMENTAL PROPERTIESExact Mass 576.33
Isotope Formula C32H48O9
Dot Disconnected Formula C32H48O9
Dot Disconnected Isotope Formula C32H48O9
Composition C (66.64%), H (8.39%), O (24.97%)
Isotope Composition C (66.64%), H (8.39%), O (24.97%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count89
Aliphatic Atom Count 41
Aliphatic Bond Count 46
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 94
Chain Atom Count 13
Chain Bond Count 15
Chiral Center Count 13
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 6
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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