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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.22
Van der Waals volume 379.05
Polar Surface Area 105.45
Van der Waals Surface Area 589.05
Refractivity 118.55

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ELEMENTAL PROPERTIESExact Mass 436.152
Isotope Formula C25H24O7
Dot Disconnected Formula C25H24O7
Dot Disconnected Isotope Formula C25H24O7
Composition C (68.8%), H (5.54%), O (25.66%)
Isotope Composition C (68.8%), H (5.54%), O (25.66%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 20
Aliphatic Bond Count 24
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 60
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 2
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 2
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.