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CHEMDIV-ZINC02954251

 MMsINC code: MMs00897806
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-/m0/s1

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Potential Energy
Epot(MMFF94)=9.95281 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: 0.0466873  Sterimol/B1: 3.16611  Sterimol/B2: 3.57384  Sterimol/B3: 3.80694
  Sterimol/B4: 4.85134  Sterimol/L: 17.2384 
 
 Surface and Volume Properties
  Accessible surface: 527.668  Positive charged surface: 391.938  Negative charged surface: 135.729  Volume: 266.75
  Hydrophobic surface: 420.773  Hydrophilic surface: 106.895
 
 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.