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NCID-ZINC01760730

 MMsINC code: MMs02367132
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+/m0/s1

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Potential Energy
Epot(MMFF94)=-11.5573 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: 0.0954801  Sterimol/B1: 2.90364  Sterimol/B2: 3.58432  Sterimol/B3: 3.98164
  Sterimol/B4: 4.50111  Sterimol/L: 12.5225 
 
 Surface and Volume Properties
  Accessible surface: 386.78  Positive charged surface: 283.385  Negative charged surface: 103.394  Volume: 180.75
  Hydrophobic surface: 270.613  Hydrophilic surface: 116.167
 
 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.