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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.92
Van der Waals volume 511.75
Polar Surface Area 135.29
Van der Waals Surface Area 827.06
Refractivity 142.58

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ELEMENTAL PROPERTIESExact Mass 518.324
Isotope Formula C30H46O7
Dot Disconnected Formula C30H46O7
Dot Disconnected Isotope Formula C30H46O7
Composition C (69.47%), H (8.94%), O (21.59%)
Isotope Composition C (69.47%), H (8.94%), O (21.59%)
Donor Sites 5
Donor Count 5
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 37
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 86
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 10
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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