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NCID-ZINC01760727

 MMsINC code: MMs02367130
Type: Neutral
Formula: C8H15ClN2O
SMILES:   ClC1CCCCC1NC(=O)NC
InChI:   InChI=1/C8H15ClN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h6-7H,2-5H2,1H3,(H2,10,11,12)/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.64189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.674 g/mol  logS: -1.32553  SlogP: 1.8853  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0823841  Sterimol/B1: 2.88935  Sterimol/B2: 3.2798  Sterimol/B3: 3.94518
  Sterimol/B4: 4.21005  Sterimol/L: 12.5208 
 
 Surface and Volume Properties
  Accessible surface: 382.73  Positive charged surface: 290.271  Negative charged surface: 92.4585  Volume: 179.75
  Hydrophobic surface: 273.826  Hydrophilic surface: 108.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.