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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.73
Van der Waals volume 719.43
Polar Surface Area 175.37
Van der Waals Surface Area 1160.59
Refractivity 190.94

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ELEMENTAL PROPERTIESExact Mass 734.461
Isotope Formula C41H66O11
Dot Disconnected Formula C41H66O11
Dot Disconnected Isotope Formula C41H66O11
Composition C (67%), H (9.05%), O (23.95%)
Isotope Composition C (67%), H (9.05%), O (23.95%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count118
Aliphatic Atom Count 52
Aliphatic Bond Count 58
Aromatic Bond Count 0
Asymmetric Atom Count 17
Bond Count 124
Chain Atom Count 18
Chain Bond Count 20
Chiral Center Count 17
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 7
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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