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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -3.94
Van der Waals volume 1390.75
Polar Surface Area 571.12
Van der Waals Surface Area 2172.22
Refractivity 83.45

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ELEMENTAL PROPERTIESExact Mass 1544.72
Isotope Formula C71H116O36
Dot Disconnected Formula C71H116O36
Dot Disconnected Isotope Formula C71H116O36
Composition C (55.17%), H (7.56%), O (37.26%)
Isotope Composition C (55.17%), H (7.56%), O (37.26%)
Donor Sites 21
Donor Count 21
Acceptor Sites 36
Acceptor Count 35


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TOPOLOGICAL PROPERTIESAtom Count223
Aliphatic Atom Count 107
Aliphatic Bond Count 118
Aromatic Bond Count 0
Asymmetric Atom Count 43
Bond Count 234
Chain Atom Count 43
Chain Bond Count 50
Chiral Center Count 43
Ring Atom Count 64
Ring Bond Count 68
Rotatable Bond Count 19
Stereo Double Bond Count 0
Aliphatic Ring Count 12
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 7
Heteroaliphatic Ring Count 7
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 12
Smallest Ring Size 6
Smallest Ring System Size 1

 






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