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CHEMDIV-ZINC04711945

 MMsINC code: MMs00943358
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC)C1CCCCCC1
InChI:   InChI=1/C13H22N2O2/c1-14-13(17)10-8-12(16)15(9-10)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=24.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -1.60329  SlogP: 1.3037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973665  Sterimol/B1: 2.57188  Sterimol/B2: 3.59443  Sterimol/B3: 3.60931
  Sterimol/B4: 5.86059  Sterimol/L: 14.2174 
 
 Surface and Volume Properties
  Accessible surface: 464.759  Positive charged surface: 371.155  Negative charged surface: 93.6045  Volume: 242.875
  Hydrophobic surface: 396.469  Hydrophilic surface: 68.29
 
 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.