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NCID-ZINC01598358

 MMsINC code: MMs02251924
Type: Neutral
Formula: C14H10ClNO2
SMILES:   Clc1ccc(cc1)\C=N\c1ccccc1C(O)=O
InChI:   InChI=1/C14H10ClNO2/c15-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)14(17)18/h1-9H,(H,17,18)/b16-9+

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Potential Energy
Epot(MMFF94)=58.8284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.692 g/mol  logS: -4.01331  SlogP: 3.7888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409639  Sterimol/B1: 2.74313  Sterimol/B2: 3.02872  Sterimol/B3: 3.445
  Sterimol/B4: 6.19981  Sterimol/L: 15.2665 
 
 Surface and Volume Properties
  Accessible surface: 474.21  Positive charged surface: 235.281  Negative charged surface: 238.929  Volume: 235.875
  Hydrophobic surface: 379.033  Hydrophilic surface: 95.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02251925
NCID-ZINC01598358