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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.1
Van der Waals volume 468.47
Polar Surface Area 125.82
Van der Waals Surface Area 755.38
Refractivity 126.19

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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 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count76
Aliphatic Atom Count 36
Aliphatic Bond Count 42
Aromatic Bond Count 0
Asymmetric Atom Count 15
Bond Count 82
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 15
Ring Atom Count 26
Ring Bond Count 32
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 7
Ring Count 7
Smallest Ring Size 3
Smallest Ring System Size 7

 






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