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ENAMINE-ZINC03595758

 MMsINC code: MMs01519870
Type: Neutral
Formula: C11H17N3O3
SMILES:   O=C1N(CC(=O)N)C(=O)NC12CCCCC2C
InChI:   InChI=1/C11H17N3O3/c1-7-4-2-3-5-11(7)9(16)14(6-8(12)15)10(17)13-11/h7H,2-6H2,1H3,(H2,12,15)(H,13,17)/t7-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=18.6682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.275 g/mol  logS: -1.98596  SlogP: -0.0276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229421  Sterimol/B1: 2.48129  Sterimol/B2: 3.46249  Sterimol/B3: 4.15216
  Sterimol/B4: 5.98659  Sterimol/L: 12.0239 
 
 Surface and Volume Properties
  Accessible surface: 416.016  Positive charged surface: 298.221  Negative charged surface: 117.795  Volume: 219
  Hydrophobic surface: 222.251  Hydrophilic surface: 193.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.