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ENAMINE-ZINC04469335

 MMsINC code: MMs01539747
Type: Neutral
Formula: C12H18N2O3
SMILES:   O=C1N(CC(=O)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C12H18N2O3/c1-8-3-5-12(6-4-8)10(16)14(7-9(2)15)11(17)13-12/h8H,3-7H2,1-2H3,(H,13,17)/t8-,12+

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Potential Energy
Epot(MMFF94)=11.6134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.287 g/mol  logS: -2.35956  SlogP: 1.0761  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0931708  Sterimol/B1: 3.40645  Sterimol/B2: 3.83504  Sterimol/B3: 4.09916
  Sterimol/B4: 4.13472  Sterimol/L: 14.2407 
 
 Surface and Volume Properties
  Accessible surface: 446.529  Positive charged surface: 295.837  Negative charged surface: 150.692  Volume: 228.5
  Hydrophobic surface: 305.635  Hydrophilic surface: 140.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.