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ENAMINE-ZINC06085814

 MMsINC code: MMs01654827
Type: Neutral
Formula: C15H16ClFN2O2
SMILES:   Clc1cc(F)ccc1NC(=O)CN(Cc1oc(cc1)C)C
InChI:   InChI=1/C15H16ClFN2O2/c1-10-3-5-12(21-10)8-19(2)9-15(20)18-14-6-4-11(17)7-13(14)16/h3-7H,8-9H2,1-2H3,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.756 g/mol  logS: -4.34699  SlogP: 3.71742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534633  Sterimol/B1: 2.5623  Sterimol/B2: 2.71295  Sterimol/B3: 4.01874
  Sterimol/B4: 6.34074  Sterimol/L: 16.816 
 
 Surface and Volume Properties
  Accessible surface: 546.723  Positive charged surface: 305.676  Negative charged surface: 241.047  Volume: 280.25
  Hydrophobic surface: 495.494  Hydrophilic surface: 51.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs01654828
ENAMINE-ZINC06085814