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PUBCHEM-ZINC00572205

 MMsINC code: MMs02707107
Type: Neutral
Formula: C15H16ClNO
SMILES:   Clc1cc(NCc2ccc(cc2)C)ccc1OC
InChI:   InChI=1/C15H16ClNO/c1-11-3-5-12(6-4-11)10-17-13-7-8-15(18-2)14(16)9-13/h3-9,17H,10H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.752 g/mol  logS: -4.20783  SlogP: 4.53552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471405  Sterimol/B1: 2.90358  Sterimol/B2: 3.61662  Sterimol/B3: 3.61903
  Sterimol/B4: 5.75759  Sterimol/L: 17.3564 
 
 Surface and Volume Properties
  Accessible surface: 515.922  Positive charged surface: 306.154  Negative charged surface: 209.768  Volume: 259
  Hydrophobic surface: 492.255  Hydrophilic surface: 23.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.