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ENAMINE-ZINC03497351

 MMsINC code: MMs01474523
Type: Neutral
Formula: C18H14ClNO3
SMILES:   Clc1ccc(cc1)COC(=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C18H14ClNO3/c1-12-16(17(20-23-12)14-5-3-2-4-6-14)18(21)22-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3

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Potential Energy
Epot(MMFF94)=73.4467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.767 g/mol  logS: -5.62372  SlogP: 4.92682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669001  Sterimol/B1: 2.39386  Sterimol/B2: 3.51101  Sterimol/B3: 4.11635
  Sterimol/B4: 9.82434  Sterimol/L: 15.6138 
 
 Surface and Volume Properties
  Accessible surface: 564.757  Positive charged surface: 245.638  Negative charged surface: 319.119  Volume: 301
  Hydrophobic surface: 501.261  Hydrophilic surface: 63.496
 
 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.