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ENAMINE-ZINC06787327

 MMsINC code: MMs01697221
Type: Tautomer
Formula: C15H15ClFN
SMILES:   Clc1cccc(F)c1CNCc1ccc(cc1)C
InChI:   InChI=1/C15H15ClFN/c1-11-5-7-12(8-6-11)9-18-10-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.8644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.743 g/mol  logS: -4.39647  SlogP: 4.61012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109391  Sterimol/B1: 2.38875  Sterimol/B2: 3.77861  Sterimol/B3: 4.83122
  Sterimol/B4: 5.06907  Sterimol/L: 15.1943 
 
 Surface and Volume Properties
  Accessible surface: 505.859  Positive charged surface: 263.113  Negative charged surface: 242.747  Volume: 255
  Hydrophobic surface: 483.502  Hydrophilic surface: 22.357
 
 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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Parent related molecule:


MMs01697220
ENAMINE-ZINC06787327