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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.63
Van der Waals volume 971.34
Polar Surface Area 353.9
Van der Waals Surface Area 1511.98
Refractivity 252.68

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ELEMENTAL PROPERTIESExact Mass 1058.53
Isotope Formula C52H82O22
Dot Disconnected Formula C52H82O22
Dot Disconnected Isotope Formula C52H82O22
Composition C (58.97%), H (7.8%), O (33.23%)
Isotope Composition C (58.97%), H (7.8%), O (33.23%)
Donor Sites 13
Donor Count 13
Acceptor Sites 23
Acceptor Count 22


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TOPOLOGICAL PROPERTIESAtom Count156
Aliphatic Atom Count 74
Aliphatic Bond Count 82
Aromatic Bond Count 0
Asymmetric Atom Count 29
Bond Count 164
Chain Atom Count 29
Chain Bond Count 33
Chiral Center Count 29
Ring Atom Count 45
Ring Bond Count 49
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 9
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 9
Smallest Ring Size 5
Smallest Ring System Size 1

 






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