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NANOSIN-ZINC01514480

 MMsINC code: MMs02198228
Type: Neutral
Formula: C19H15ClN2O2
SMILES:   Clc1ccc(nc1)NC(=O)c1ccc(cc1)-c1ccc(OC)cc1
InChI:   InChI=1/C19H15ClN2O2/c1-24-17-9-6-14(7-10-17)13-2-4-15(5-3-13)19(23)22-18-11-8-16(20)12-21-18/h2-12H,1H3,(H,21,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.33 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.794 g/mol  logS: -5.61904  SlogP: 4.6629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00181674  Sterimol/B1: 2.37494  Sterimol/B2: 2.37496  Sterimol/B3: 3.69103
  Sterimol/B4: 4.52951  Sterimol/L: 21.7561 
 
 Surface and Volume Properties
  Accessible surface: 595.566  Positive charged surface: 318.528  Negative charged surface: 265.673  Volume: 314.25
  Hydrophobic surface: 529.465  Hydrophilic surface: 66.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.