NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.95
Van der Waals volume 456.2
Polar Surface Area 105.45
Van der Waals Surface Area 715.46
Refractivity 142.79

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ELEMENTAL PROPERTIESExact Mass 504.215
Isotope Formula C30H32O7
Dot Disconnected Formula C30H32O7
Dot Disconnected Isotope Formula C30H32O7
Composition C (71.41%), H (6.39%), O (22.2%)
Isotope Composition C (71.41%), H (6.39%), O (22.2%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count69
Aliphatic Atom Count 25
Aliphatic Bond Count 29
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 73
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 2
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
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 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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