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NCID-ZINC01577522

 MMsINC code: MMs02235746
Type: Neutral
Formula: C12H23NO
SMILES:   O=C(N)C(CCC1CCCCC1)CC
InChI:   InChI=1/C12H23NO/c1-2-11(12(13)14)9-8-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H2,13,14)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=14.2624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.322 g/mol  logS: -4.29972  SlogP: 2.8584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120353  Sterimol/B1: 2.37022  Sterimol/B2: 3.3402  Sterimol/B3: 3.91878
  Sterimol/B4: 5.71111  Sterimol/L: 12.9862 
 
 Surface and Volume Properties
  Accessible surface: 447.247  Positive charged surface: 339.73  Negative charged surface: 107.517  Volume: 223.125
  Hydrophobic surface: 329.46  Hydrophilic surface: 117.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.