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ENAMINE-ZINC06651266

 MMsINC code: MMs01692087
Type: Neutral
Formula: C15H25N5O4
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1C(=O)CN(CC(=O)NCCC)C
InChI:   InChI=1/C15H25N5O4/c1-4-6-17-11(22)9-19(3)8-10(21)12-13(16)20(7-5-2)15(24)18-14(12)23/h4-9,16H2,1-3H3,(H,17,22)(H,18,23,24)

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Potential Energy
Epot(MMFF94)=46.0829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.396 g/mol  logS: -1.82254  SlogP: -0.8544  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0303575  Sterimol/B1: 2.64514  Sterimol/B2: 3.09915  Sterimol/B3: 4.65822
  Sterimol/B4: 5.68245  Sterimol/L: 20.9359 
 
 Surface and Volume Properties
  Accessible surface: 616.837  Positive charged surface: 466.821  Negative charged surface: 150.017  Volume: 320.375
  Hydrophobic surface: 361.813  Hydrophilic surface: 255.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.