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NCID-ZINC01621581

 MMsINC code: MMs02269459
Type: Neutral
Formula: C10H19ClN2O
SMILES:   ClC(CNC(=O)NC1CCCCC1)C
InChI:   InChI=1/C10H19ClN2O/c1-8(11)7-12-10(14)13-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-13.2487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.728 g/mol  logS: -2.16796  SlogP: 2.6655  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0484605  Sterimol/B1: 2.95058  Sterimol/B2: 3.24961  Sterimol/B3: 3.4348
  Sterimol/B4: 4.48878  Sterimol/L: 15.0288 
 
 Surface and Volume Properties
  Accessible surface: 454.574  Positive charged surface: 315.841  Negative charged surface: 138.732  Volume: 217.5
  Hydrophobic surface: 317.42  Hydrophilic surface: 137.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.