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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 12.65
Van der Waals volume 911.38
Polar Surface Area 150.35
Van der Waals Surface Area 1483.78
Refractivity 253.38

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ELEMENTAL PROPERTIESExact Mass 908.601
Isotope Formula C54H84O11
Dot Disconnected Formula C54H84O11
Dot Disconnected Isotope Formula C54H84O11
Composition C (71.33%), H (9.31%), O (19.36%)
Isotope Composition C (71.33%), H (9.31%), O (19.36%)
Donor Sites 2
Donor Count 2
Acceptor Sites 12
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count149
Aliphatic Atom Count 65
Aliphatic Bond Count 70
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 154
Chain Atom Count 46
Chain Bond Count 46
Chiral Center Count 12
Ring Atom Count 19
Ring Bond Count 24
Rotatable Bond Count 32
Stereo Double Bond Count 2
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 3
Smallest Ring System Size 6

 






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