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ENAMINE-ZINC03533481

 MMsINC code: MMs01494976
Type: Neutral
Formula: C14H14N2O3
SMILES:   o1nc(C)c(C(=O)Nc2ccc(cc2)C(=O)C)c1C
InChI:   InChI=1/C14H14N2O3/c1-8-13(10(3)19-16-8)14(18)15-12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=76.0567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.277 g/mol  logS: -2.94027  SlogP: 2.74634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062265  Sterimol/B1: 2.04078  Sterimol/B2: 2.58061  Sterimol/B3: 3.90505
  Sterimol/B4: 7.03804  Sterimol/L: 15.252 
 
 Surface and Volume Properties
  Accessible surface: 491.932  Positive charged surface: 264.719  Negative charged surface: 227.213  Volume: 243.25
  Hydrophobic surface: 390.647  Hydrophilic surface: 101.285
 
 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.