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BACHEM-ZINC01731934

 MMsINC code: MMs00482608
Type: Neutral
Formula: C7H14ClNO
SMILES:   ClCC(=O)C(N)CC(C)C
InChI:   InChI=1/C7H14ClNO/c1-5(2)3-6(9)7(10)4-8/h5-6H,3-4,9H2,1-2H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=31.1835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.648 g/mol  logS: -1.93795  SlogP: 1.1677  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.233084  Sterimol/B1: 2.40258  Sterimol/B2: 3.08296  Sterimol/B3: 4.32501
  Sterimol/B4: 4.49104  Sterimol/L: 11.6052 
 
 Surface and Volume Properties
  Accessible surface: 365.073  Positive charged surface: 219.159  Negative charged surface: 145.914  Volume: 167.125
  Hydrophobic surface: 173.372  Hydrophilic surface: 191.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00482609
BACHEM-ZINC01731934