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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.83
Van der Waals volume 1009.21
Polar Surface Area 309.92
Van der Waals Surface Area 1595.18
Refractivity 272.64

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ELEMENTAL PROPERTIESExact Mass 1085.56
Isotope Formula C57H83NO19
Dot Disconnected Formula C57H83NO19
Dot Disconnected Isotope Formula C57H83NO19
Composition C (63.02%), H (7.7%), N (1.29%), O (27.98%)
Isotope Composition C (63.02%), H (7.7%), N (1.29%), O (27.98%)
Donor Sites 10
Donor Count 10
Acceptor Sites 21
Acceptor Count 18


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TOPOLOGICAL PROPERTIESAtom Count160
Aliphatic Atom Count 71
Aliphatic Bond Count 79
Aromatic Bond Count 6
Asymmetric Atom Count 23
Bond Count 168
Chain Atom Count 31
Chain Bond Count 35
Chiral Center Count 23
Ring Atom Count 46
Ring Bond Count 50
Rotatable Bond Count 13
Stereo Double Bond Count 1
Aliphatic Ring Count 8
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 1

 






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