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OAKWOOD-ZINC04253409

 MMsINC code: MMs02550057
Type: Neutral
Formula: C15H14ClNO2
SMILES:   Clc1ccc(NC(C(O)=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C15H14ClNO2/c1-10-2-4-11(5-3-10)14(15(18)19)17-13-8-6-12(16)7-9-13/h2-9,14,17H,1H3,(H,18,19)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.4991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.735 g/mol  logS: -4.15329  SlogP: 3.98172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875866  Sterimol/B1: 2.81765  Sterimol/B2: 3.18396  Sterimol/B3: 4.51737
  Sterimol/B4: 5.43741  Sterimol/L: 16.1912 
 
 Surface and Volume Properties
  Accessible surface: 505.397  Positive charged surface: 243.244  Negative charged surface: 262.153  Volume: 256.75
  Hydrophobic surface: 418.021  Hydrophilic surface: 87.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02550058
OAKWOOD-ZINC04253409