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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.97
Van der Waals volume 471.77
Polar Surface Area 110.13
Van der Waals Surface Area 753.7
Refractivity 137.54

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ELEMENTAL PROPERTIESExact Mass 508.246
Isotope Formula C30H36O7
Dot Disconnected Formula C30H36O7
Dot Disconnected Isotope Formula C30H36O7
Composition C (70.85%), H (7.13%), O (22.02%)
Isotope Composition C (70.85%), H (7.13%), O (22.02%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count73
Aliphatic Atom Count 31
Aliphatic Bond Count 35
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 77
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 7
Ring Atom Count 21
Ring Bond Count 24
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 1
Carbo Ring Count 5
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 3
Smallest Ring System Size 1

 






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