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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.55
Van der Waals volume 1038.88
Polar Surface Area 377.29
Van der Waals Surface Area 1668.1
Refractivity 266.89

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ELEMENTAL PROPERTIESExact Mass 1108.6
Isotope Formula C54H92O23
Dot Disconnected Formula C54H92O23
Dot Disconnected Isotope Formula C54H92O23
Composition C (58.47%), H (8.36%), O (33.17%)
Isotope Composition C (58.47%), H (8.36%), O (33.17%)
Donor Sites 15
Donor Count 15
Acceptor Sites 23
Acceptor Count 23


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TOPOLOGICAL PROPERTIESAtom Count169
Aliphatic Atom Count 77
Aliphatic Bond Count 84
Aromatic Bond Count 0
Asymmetric Atom Count 30
Bond Count 176
Chain Atom Count 36
Chain Bond Count 40
Chiral Center Count 30
Ring Atom Count 41
Ring Bond Count 44
Rotatable Bond Count 16
Stereo Double Bond Count 0
Aliphatic Ring Count 8
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 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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