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ENAMINE-ZINC06383799

 MMsINC code: MMs01662713
Type: Neutral
Formula: C15H18N2O3
SMILES:   O=C1N(CC(=O)NC(C(C)C)C)C(=O)c2c1cccc2
InChI:   InChI=1/C15H18N2O3/c1-9(2)10(3)16-13(18)8-17-14(19)11-6-4-5-7-12(11)15(17)20/h4-7,9-10H,8H2,1-3H3,(H,16,18)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.6193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.32 g/mol  logS: -3.16526  SlogP: 1.4433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639676  Sterimol/B1: 2.35389  Sterimol/B2: 3.61773  Sterimol/B3: 3.66624
  Sterimol/B4: 5.64363  Sterimol/L: 16.1098 
 
 Surface and Volume Properties
  Accessible surface: 521.432  Positive charged surface: 312.526  Negative charged surface: 208.906  Volume: 269
  Hydrophobic surface: 348.67  Hydrophilic surface: 172.762
 
 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.