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NCID-ZINC01614964

 MMsINC code: MMs02264737
Type: Neutral
Formula: C10H14ClNO
SMILES:   ClC(CN(OC)C)c1ccccc1
InChI:   InChI=1/C10H14ClNO/c1-12(13-2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.8818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.681 g/mol  logS: -2.03923  SlogP: 2.5552  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0805655  Sterimol/B1: 2.39872  Sterimol/B2: 2.55166  Sterimol/B3: 4.96921
  Sterimol/B4: 5.70064  Sterimol/L: 12.3121 
 
 Surface and Volume Properties
  Accessible surface: 419.307  Positive charged surface: 274.344  Negative charged surface: 144.964  Volume: 202.375
  Hydrophobic surface: 366.66  Hydrophilic surface: 52.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.