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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.77
Van der Waals volume 1239.18
Polar Surface Area 491.97
Van der Waals Surface Area 1933.44
Refractivity 314.92

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ELEMENTAL PROPERTIESExact Mass 1368.66
Isotope Formula C64H104O31
Dot Disconnected Formula C64H104O31
Dot Disconnected Isotope Formula C64H104O31
Composition C (56.13%), H (7.65%), O (36.22%)
Isotope Composition C (56.13%), H (7.65%), O (36.22%)
Donor Sites 18
Donor Count 18
Acceptor Sites 31
Acceptor Count 30


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TOPOLOGICAL PROPERTIESAtom Count199
Aliphatic Atom Count 95
Aliphatic Bond Count 105
Aromatic Bond Count 0
Asymmetric Atom Count 40
Bond Count 209
Chain Atom Count 38
Chain Bond Count 44
Chiral Center Count 40
Ring Atom Count 57
Ring Bond Count 61
Rotatable Bond Count 17
Stereo Double Bond Count 0
Aliphatic Ring Count 11
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 6
Heteroaliphatic Ring Count 6
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 11
Smallest Ring Size 5
Smallest Ring System Size 1

 






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