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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.52
Van der Waals volume 591.14
Polar Surface Area 93.09
Van der Waals Surface Area 958.11
Refractivity 182.97

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ELEMENTAL PROPERTIESExact Mass 638.299
Isotope Formula C38H42N2O7
Dot Disconnected Formula C38H42N2O7
Dot Disconnected Isotope Formula C38H42N2O7
Composition C (71.45%), H (6.63%), N (4.39%), O (17.53%)
Isotope Composition C (71.45%), H (6.63%), N (4.39%), O (17.53%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count89
Aliphatic Atom Count 23
Aliphatic Bond Count 29
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 95
Chain Atom Count 14
Chain Bond Count 16
Chiral Center Count 2
Ring Atom Count 33
Ring Bond Count 37
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 4
Carbo Ring Count 5
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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