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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -2.43
Van der Waals volume 352.48
Polar Surface Area 166.28
Van der Waals Surface Area 536.84
Refractivity 94.92

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ELEMENTAL PROPERTIESExact Mass 424.137
Isotope Formula C20H24O10
Dot Disconnected Formula C20H24O10
Dot Disconnected Isotope Formula C20H24O10
Composition C (56.6%), H (5.7%), O (37.7%)
Isotope Composition C (56.6%), H (5.7%), O (37.7%)
Donor Sites 5
Donor Count 5
Acceptor Sites 11
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 30
Aliphatic Bond Count 35
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 59
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 11
Ring Atom Count 21
Ring Bond Count 26
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
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 6
Ring Count 6
Smallest Ring Size 3
Smallest Ring System Size 6

 






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