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ENAMINE-ZINC06949251

MMsINC code: MMs01716844

Type: Neutral
Formula: C18H18N2O3
SMILES:   O=C1N(CC(O)c2ccccc2)C(=O)NC1(C)c1ccccc1
InChI:   InChI=1/C18H18N2O3/c1-18(14-10-6-3-7-11-14)16(22)20(17(23)19-18)12-15(21)13-8-4-2-5-9-13/h2-11,15,21H,12H2,1H3,(H,19,23)/t15-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=59.1724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.353 g/mol  logS: -3.69496  SlogP: 2.5942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107529  Sterimol/B1: 2.27273  Sterimol/B2: 2.88539  Sterimol/B3: 5.60084
  Sterimol/B4: 6.5847  Sterimol/L: 15.5215 
 
 Surface and Volume Properties
  Accessible surface: 547.842  Positive charged surface: 304.08  Negative charged surface: 243.762  Volume: 297.25
  Hydrophobic surface: 425.102  Hydrophilic surface: 122.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.