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PUBCHEM-ZINC05677118

 MMsINC code: MMs03344530
Type: Neutral
Formula: C25H19NO3
SMILES:   Oc1ccccc1N1C(=O)C2(C(C3c4c(C2c2c3cccc2)cccc4)C1=O)C
InChI:   InChI=1/C25H19NO3/c1-25-21-16-10-4-2-8-14(16)20(15-9-3-5-11-17(15)21)22(25)23(28)26(24(25)29)18-12-6-7-13-19(18)27/h2-13,20-22,27H,1H3/t20-,21+,22-,25-/m0/s1

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Potential Energy
Epot(MMFF94)=123.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.431 g/mol  logS: -5.02257  SlogP: 4.1789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166661  Sterimol/B1: 2.23718  Sterimol/B2: 3.18571  Sterimol/B3: 5.0934
  Sterimol/B4: 8.50121  Sterimol/L: 15.8508 
 
 Surface and Volume Properties
  Accessible surface: 571.528  Positive charged surface: 321.656  Negative charged surface: 249.872  Volume: 356.625
  Hydrophobic surface: 468.23  Hydrophilic surface: 103.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.