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NCID-ZINC01677911

 MMsINC code: MMs02312833
Type: Neutral
Formula: C9H19NO2
SMILES:   OC(=O)C(N)(CCCCC)CC
InChI:   InChI=1/C9H19NO2/c1-3-5-6-7-9(10,4-2)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=26.0574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.256 g/mol  logS: -1.88136  SlogP: 1.7588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097746  Sterimol/B1: 3.1591  Sterimol/B2: 3.16313  Sterimol/B3: 3.6837
  Sterimol/B4: 4.80778  Sterimol/L: 13.4046 
 
 Surface and Volume Properties
  Accessible surface: 399.376  Positive charged surface: 294.926  Negative charged surface: 104.45  Volume: 189.5
  Hydrophobic surface: 246.808  Hydrophilic surface: 152.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.