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CHEMDIV-ZINC02954252

 MMsINC code: MMs00897807
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C1N(CC(C1)C(=O)NCCCC)C1CCCC1
InChI:   InChI=1/C14H24N2O2/c1-2-3-8-15-14(18)11-9-13(17)16(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=10.3139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -1.61705  SlogP: 1.6938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063065  Sterimol/B1: 3.56799  Sterimol/B2: 3.78204  Sterimol/B3: 3.8612
  Sterimol/B4: 5.1806  Sterimol/L: 16.1902 
 
 Surface and Volume Properties
  Accessible surface: 517.112  Positive charged surface: 390.206  Negative charged surface: 126.906  Volume: 265.625
  Hydrophobic surface: 419.122  Hydrophilic surface: 97.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.