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CHEMDIV-ZINC00262285

 MMsINC code: MMs00847685
Type: Neutral
Formula: C14H25N3O3
SMILES:   O1CCCC1CNC(=O)C1CCN(CC1)C(=O)N(C)C
InChI:   InChI=1/C14H25N3O3/c1-16(2)14(19)17-7-5-11(6-8-17)13(18)15-10-12-4-3-9-20-12/h11-12H,3-10H2,1-2H3,(H,15,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=74.6898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -0.5688  SlogP: 0.6752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458873  Sterimol/B1: 2.43318  Sterimol/B2: 3.10579  Sterimol/B3: 4.35111
  Sterimol/B4: 6.11048  Sterimol/L: 17.1078 
 
 Surface and Volume Properties
  Accessible surface: 547.42  Positive charged surface: 464.648  Negative charged surface: 82.7721  Volume: 283.625
  Hydrophobic surface: 468.692  Hydrophilic surface: 78.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.