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IBS-ZINC02116814

 MMsINC code: MMs01788967
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CCCN2CCCC2=O)C(=O)NC1C(CC)C
InChI:   InChI=1/C14H23N3O3/c1-3-10(2)12-13(19)17(14(20)15-12)9-5-8-16-7-4-6-11(16)18/h10,12H,3-9H2,1-2H3,(H,15,20)/t10-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=2.02014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -1.78134  SlogP: 0.9654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670999  Sterimol/B1: 3.09931  Sterimol/B2: 3.85057  Sterimol/B3: 4.16118
  Sterimol/B4: 4.34896  Sterimol/L: 16.9612 
 
 Surface and Volume Properties
  Accessible surface: 536.636  Positive charged surface: 378.768  Negative charged surface: 157.868  Volume: 278.5
  Hydrophobic surface: 365.683  Hydrophilic surface: 170.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.