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ENAMINE-ZINC06790093

 MMsINC code: MMs01699267
Type: Neutral
Formula: C18H14ClNO3
SMILES:   Clc1cc(C)c(OC(=O)c2c(noc2C)-c2ccccc2)cc1
InChI:   InChI=1/C18H14ClNO3/c1-11-10-14(19)8-9-15(11)22-18(21)16-12(2)23-20-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3

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Potential Energy
Epot(MMFF94)=91.0646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.767 g/mol  logS: -5.74862  SlogP: 4.83104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033846  Sterimol/B1: 2.56659  Sterimol/B2: 3.31079  Sterimol/B3: 5.28285
  Sterimol/B4: 6.98185  Sterimol/L: 14.3388 
 
 Surface and Volume Properties
  Accessible surface: 538.524  Positive charged surface: 224.553  Negative charged surface: 313.971  Volume: 301.25
  Hydrophobic surface: 480.926  Hydrophilic surface: 57.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.