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NCID-ZINC01594269

 MMsINC code: MMs02248652
Type: Neutral
Formula: C7H14ClNO
SMILES:   ClC(CCCCC)C(=O)N
InChI:   InChI=1/C7H14ClNO/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H2,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=11.1737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.648 g/mol  logS: -2.70902  SlogP: 2.0793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685176  Sterimol/B1: 2.36037  Sterimol/B2: 2.80225  Sterimol/B3: 3.83749
  Sterimol/B4: 3.95196  Sterimol/L: 12.9656 
 
 Surface and Volume Properties
  Accessible surface: 375.499  Positive charged surface: 238.232  Negative charged surface: 137.267  Volume: 162.875
  Hydrophobic surface: 190.235  Hydrophilic surface: 185.264
 
 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.