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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.23
Van der Waals volume 498.81
Polar Surface Area 97.99
Van der Waals Surface Area 812.27
Refractivity 136.83

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ELEMENTAL PROPERTIESExact Mass 488.35
Isotope Formula C30H48O5
Dot Disconnected Formula C30H48O5
Dot Disconnected Isotope Formula C30H48O5
Composition C (73.73%), H (9.9%), O (16.37%)
Isotope Composition C (73.73%), H (9.9%), O (16.37%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 35
Aliphatic Bond Count 39
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 87
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 12
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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