NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.95
Van der Waals volume 450.11
Polar Surface Area 75.99
Van der Waals Surface Area 760.71
Refractivity 123.11

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ELEMENTAL PROPERTIESExact Mass 436.319
Isotope Formula C26H44O5
Dot Disconnected Formula C26H44O5
Dot Disconnected Isotope Formula C26H44O5
Composition C (71.52%), H (10.16%), O (18.32%)
Isotope Composition C (71.52%), H (10.16%), O (18.32%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count75
Aliphatic Atom Count 31
Aliphatic Bond Count 33
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 77
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 5
Ring Atom Count 15
Ring Bond Count 17
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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