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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.42
Van der Waals volume 483.49
Polar Surface Area 74.6
Van der Waals Surface Area 790.11
Refractivity 133.18

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ELEMENTAL PROPERTIESExact Mass 470.34
Isotope Formula C30H46O4
Dot Disconnected Formula C30H46O4
Dot Disconnected Isotope Formula C30H46O4
Composition C (76.55%), H (9.85%), O (13.6%)
Isotope Composition C (76.55%), H (9.85%), O (13.6%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 34
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 84
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 11
Ring Atom Count 20
Ring Bond Count 24
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
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.