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PUBCHEM-ZINC06256159

 MMsINC code: MMs03641618
Type: Neutral
Formula: C15H25N3O4
SMILES:   O=C1N2C(CC(NC(=O)C(O)C)CC2)C(=O)NC1CC(C)C
InChI:   InChI=1/C15H25N3O4/c1-8(2)6-11-15(22)18-5-4-10(16-13(20)9(3)19)7-12(18)14(21)17-11/h8-12,19H,4-7H2,1-3H3,(H,16,20)(H,17,21)/t9-,10-,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=97.9145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.382 g/mol  logS: -2.38757  SlogP: -0.6125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659947  Sterimol/B1: 2.12552  Sterimol/B2: 2.36369  Sterimol/B3: 5.02009
  Sterimol/B4: 6.5174  Sterimol/L: 16.678 
 
 Surface and Volume Properties
  Accessible surface: 557.896  Positive charged surface: 379.264  Negative charged surface: 178.632  Volume: 298.625
  Hydrophobic surface: 315.235  Hydrophilic surface: 242.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.