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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.59
Van der Waals volume 319.52
Polar Surface Area 102.29
Van der Waals Surface Area 503.22
Refractivity 87.76

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ELEMENTAL PROPERTIESExact Mass 364.152
Isotope Formula C19H24O7
Dot Disconnected Formula C19H24O7
Dot Disconnected Isotope Formula C19H24O7
Composition C (62.63%), H (6.64%), O (30.74%)
Isotope Composition C (62.63%), H (6.64%), O (30.74%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 26
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 54
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 9
Ring Atom Count 19
Ring Bond Count 22
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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