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NCID-ZINC01580076

 MMsINC code: MMs02237749
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C1N(C2CCCCCC2)C(=O)NC1C(C)C
InChI:   InChI=1/C13H22N2O2/c1-9(2)11-12(16)15(13(17)14-11)10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=22.4405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -2.7516  SlogP: 2.2856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101114  Sterimol/B1: 3.59086  Sterimol/B2: 3.60781  Sterimol/B3: 4.25712
  Sterimol/B4: 4.31324  Sterimol/L: 13.745 
 
 Surface and Volume Properties
  Accessible surface: 443.545  Positive charged surface: 312.732  Negative charged surface: 130.814  Volume: 242.375
  Hydrophobic surface: 325.391  Hydrophilic surface: 118.154
 
 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.