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NCID-ZINC01665292

 MMsINC code: MMs02301455
Type: Neutral
Formula: C14H20ClNO
SMILES:   Clc1ccc(cc1)C(O)C(N1CCCCC1)C
InChI:   InChI=1/C14H20ClNO/c1-11(16-9-3-2-4-10-16)14(17)12-5-7-13(15)8-6-12/h5-8,11,14,17H,2-4,9-10H2,1H3/t11-,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.0265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.773 g/mol  logS: -2.86944  SlogP: 3.3433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903692  Sterimol/B1: 1.98967  Sterimol/B2: 2.9409  Sterimol/B3: 4.17546
  Sterimol/B4: 5.54872  Sterimol/L: 15.3775 
 
 Surface and Volume Properties
  Accessible surface: 478.162  Positive charged surface: 287.937  Negative charged surface: 190.225  Volume: 253.75
  Hydrophobic surface: 428.945  Hydrophilic surface: 49.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02301456
NCID-ZINC01665292