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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.4
Van der Waals volume 511.14
Polar Surface Area 125.68
Van der Waals Surface Area 817.97
Refractivity 139.26

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ELEMENTAL PROPERTIESExact Mass 534.319
Isotope Formula C30H46O8
Dot Disconnected Formula C30H46O8
Dot Disconnected Isotope Formula C30H46O8
Composition C (67.39%), H (8.67%), O (23.94%)
Isotope Composition C (67.39%), H (8.67%), O (23.94%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 38
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 89
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 12
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 4
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.