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ASINEX-ZINC01353766

 MMsINC code: MMs00243528
Type: Neutral
Formula: C23H23N3O3
SMILES:   o1nccc1C(=O)N(C(C(=O)NC1CCCC1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H23N3O3/c27-22(25-18-11-7-8-12-18)21(17-9-3-1-4-10-17)26(19-13-5-2-6-14-19)23(28)20-15-16-24-29-20/h1-6,9-10,13-16,18,21H,7-8,11-12H2,(H,25,27)/t21-/m1/s1

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Potential Energy
Epot(MMFF94)=195.683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.455 g/mol  logS: -4.94454  SlogP: 4.217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.350763  Sterimol/B1: 2.49814  Sterimol/B2: 5.97718  Sterimol/B3: 7.49248
  Sterimol/B4: 7.99824  Sterimol/L: 13.7431 
 
 Surface and Volume Properties
  Accessible surface: 626.883  Positive charged surface: 383.914  Negative charged surface: 242.969  Volume: 367.125
  Hydrophobic surface: 555.559  Hydrophilic surface: 71.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.