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ENAMINE-ZINC03546097

 MMsINC code: MMs01500898
Type: Neutral
Formula: C15H23N3O4
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NC(C(C)C)C)C1=O
InChI:   InChI=1/C15H23N3O4/c1-9(2)10(3)16-12(19)8-17-13(20)14(21)18(15(17)22)11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,16,19)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=24.2287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.366 g/mol  logS: -2.50226  SlogP: 0.8805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073906  Sterimol/B1: 2.59988  Sterimol/B2: 3.71721  Sterimol/B3: 4.51988
  Sterimol/B4: 5.13968  Sterimol/L: 16.8464 
 
 Surface and Volume Properties
  Accessible surface: 554.436  Positive charged surface: 366.76  Negative charged surface: 187.676  Volume: 296.5
  Hydrophobic surface: 358.99  Hydrophilic surface: 195.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.