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CHEMBLOCK-ZINC01422339

 MMsINC code: MMs00519054
Type: Neutral
Formula: C23H19N3O3
SMILES:   Oc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1c2c(ccc1)cccc2)C
InChI:   InChI=1/C23H19N3O3/c1-25-19-13-26(18-8-4-6-14-5-2-3-7-17(14)18)22(28)20(19)21(24-23(25)29)15-9-11-16(27)12-10-15/h2-12,21,27H,13H2,1H3,(H,24,29)/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=86.4142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.423 g/mol  logS: -5.55125  SlogP: 3.6379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155055  Sterimol/B1: 2.39322  Sterimol/B2: 3.25912  Sterimol/B3: 5.49884
  Sterimol/B4: 9.57869  Sterimol/L: 15.5574 
 
 Surface and Volume Properties
  Accessible surface: 621.83  Positive charged surface: 374.851  Negative charged surface: 238.526  Volume: 360.625
  Hydrophobic surface: 482.456  Hydrophilic surface: 139.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.