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ENAMINE-ZINC06453144

 MMsINC code: MMs01663467
Type: Neutral
Formula: C20H25NO3
SMILES:   O(C(=O)c1ccc(cc1)CNC(=O)C12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C20H25NO3/c1-24-18(22)17-4-2-13(3-5-17)12-21-19(23)20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3,(H,21,23)/t14-,15+,16-,20-

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Potential Energy
Epot(MMFF94)=60.7348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.424 g/mol  logS: -5.31061  SlogP: 3.5722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818926  Sterimol/B1: 2.69536  Sterimol/B2: 3.45905  Sterimol/B3: 4.23216
  Sterimol/B4: 6.10767  Sterimol/L: 17.5622 
 
 Surface and Volume Properties
  Accessible surface: 588.73  Positive charged surface: 436.571  Negative charged surface: 152.159  Volume: 322.25
  Hydrophobic surface: 513.505  Hydrophilic surface: 75.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.