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CHEMBRIDGE-ZINC05013136

 MMsINC code: MMs00826244
Type: Neutral
Formula: C19H14ClNO3
SMILES:   Clc1ccc(NC(=O)Cc2c3c(ccc2)cccc3)cc1C(O)=O
InChI:   InChI=1/C19H14ClNO3/c20-17-9-8-14(11-16(17)19(23)24)21-18(22)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,21,22)(H,23,24)

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Potential Energy
Epot(MMFF94)=93.3947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.778 g/mol  logS: -5.99791  SlogP: 4.37257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113091  Sterimol/B1: 2.97594  Sterimol/B2: 3.06082  Sterimol/B3: 4.96021
  Sterimol/B4: 6.84398  Sterimol/L: 15.2561 
 
 Surface and Volume Properties
  Accessible surface: 566.651  Positive charged surface: 290.563  Negative charged surface: 267.189  Volume: 304.625
  Hydrophobic surface: 441.171  Hydrophilic surface: 125.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00826245
CHEMBRIDGE-ZINC05013136