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ENAMINE-ZINC03451953

 MMsINC code: MMs01451276
Type: Neutral
Formula: C16H22N2O4
SMILES:   O(C(=O)c1cccc(C)c1C)CC(=O)NC(=O)NCC(C)C
InChI:   InChI=1/C16H22N2O4/c1-10(2)8-17-16(21)18-14(19)9-22-15(20)13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H2,17,18,19,21)

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Potential Energy
Epot(MMFF94)=58.2844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.362 g/mol  logS: -3.8463  SlogP: 1.94204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129899  Sterimol/B1: 2.78269  Sterimol/B2: 3.40083  Sterimol/B3: 3.5054
  Sterimol/B4: 5.2729  Sterimol/L: 20.4045 
 
 Surface and Volume Properties
  Accessible surface: 594.036  Positive charged surface: 393.484  Negative charged surface: 200.552  Volume: 299.875
  Hydrophobic surface: 423.997  Hydrophilic surface: 170.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.