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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.25
Van der Waals volume 1120.17
Polar Surface Area 352.13
Van der Waals Surface Area 1798.26
Refractivity 86.41

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ELEMENTAL PROPERTIESExact Mass 1188.67
Isotope Formula C60H100O23
Dot Disconnected Formula C60H100O23
Dot Disconnected Isotope Formula C60H100O23
Composition C (60.59%), H (8.47%), O (30.94%)
Isotope Composition C (60.59%), H (8.47%), O (30.94%)
Donor Sites 12
Donor Count 12
Acceptor Sites 23
Acceptor Count 22


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TOPOLOGICAL PROPERTIESAtom Count183
Aliphatic Atom Count 83
Aliphatic Bond Count 92
Aromatic Bond Count 0
Asymmetric Atom Count 32
Bond Count 192
Chain Atom Count 31
Chain Bond Count 36
Chiral Center Count 32
Ring Atom Count 52
Ring Bond Count 56
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 10
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 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 10
Smallest Ring Size 6
Smallest Ring System Size 1

 






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