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ENAMINE-ZINC02620150

 MMsINC code: MMs01254811
Type: Neutral
Formula: C22H23N3O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)NC12CCCC2
InChI:   InChI=1/C22H23N3O3/c26-18(15-25-20(27)22(24-21(25)28)13-7-8-14-22)23-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2,(H,23,26)(H,24,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.444 g/mol  logS: -4.69878  SlogP: 2.8523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107557  Sterimol/B1: 2.503  Sterimol/B2: 3.72054  Sterimol/B3: 4.1668
  Sterimol/B4: 8.86388  Sterimol/L: 16.7463 
 
 Surface and Volume Properties
  Accessible surface: 654.015  Positive charged surface: 393.011  Negative charged surface: 261.004  Volume: 365.5
  Hydrophobic surface: 532.759  Hydrophilic surface: 121.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.