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ENAMINE-ZINC02619770

 MMsINC code: MMs01254571
Type: Neutral
Formula: C23H27N3O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)NC1(CC(C)C)C
InChI:   InChI=1/C23H27N3O3/c1-16(2)14-23(3)21(28)26(22(29)25-23)15-19(27)24-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20H,14-15H2,1-3H3,(H,24,27)(H,25,29)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.3942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.487 g/mol  logS: -5.62949  SlogP: 3.3443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174883  Sterimol/B1: 2.13092  Sterimol/B2: 5.07764  Sterimol/B3: 5.51358
  Sterimol/B4: 7.38421  Sterimol/L: 16.1486 
 
 Surface and Volume Properties
  Accessible surface: 669.517  Positive charged surface: 405.506  Negative charged surface: 264.011  Volume: 387.5
  Hydrophobic surface: 514.778  Hydrophilic surface: 154.739
 
 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.