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CHEMDIV-ZINC00220578

 MMsINC code: MMs00843371
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-/m0/s1

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Potential Energy
Epot(MMFF94)=24.5049 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: 0.0946993  Sterimol/B1: 2.8029  Sterimol/B2: 3.65504  Sterimol/B3: 4.18565
  Sterimol/B4: 4.68141  Sterimol/L: 15.1458 
 
 Surface and Volume Properties
  Accessible surface: 472.032  Positive charged surface: 376.194  Negative charged surface: 95.8376  Volume: 242.125
  Hydrophobic surface: 394.029  Hydrophilic surface: 78.003
 
 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.