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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.4
Van der Waals volume 470.93
Polar Surface Area 136.82
Van der Waals Surface Area 748.46
Refractivity 129.12

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ELEMENTAL PROPERTIESExact Mass 504.272
Isotope Formula C28H40O8
Dot Disconnected Formula C28H40O8
Dot Disconnected Isotope Formula C28H40O8
Composition C (66.65%), H (7.99%), O (25.37%)
Isotope Composition C (66.65%), H (7.99%), O (25.37%)
Donor Sites 4
Donor Count 4
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count76
Aliphatic Atom Count 36
Aliphatic Bond Count 41
Aromatic Bond Count 0
Asymmetric Atom Count 15
Bond Count 81
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 15
Ring Atom Count 23
Ring Bond Count 27
Rotatable Bond Count 3
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 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 6
Smallest Ring Size 3
Smallest Ring System Size 1

 






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