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IBS-ZINC05354076

 MMsINC code: MMs01944298
Type: Neutral
Formula: C23H18ClNO4
SMILES:   Clc1cc(ccc1)COc1cc(O)c(cc1)-c1oncc1-c1ccccc1OC
InChI:   InChI=1/C23H18ClNO4/c1-27-22-8-3-2-7-18(22)20-13-25-29-23(20)19-10-9-17(12-21(19)26)28-14-15-5-4-6-16(24)11-15/h2-13,26H,14H2,1H3

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Potential Energy
Epot(MMFF94)=143.978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.853 g/mol  logS: -7.09379  SlogP: 6.2216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117324  Sterimol/B1: 2.36704  Sterimol/B2: 4.17059  Sterimol/B3: 7.3791
  Sterimol/B4: 7.46146  Sterimol/L: 17.4717 
 
 Surface and Volume Properties
  Accessible surface: 659.832  Positive charged surface: 375.742  Negative charged surface: 284.09  Volume: 368.375
  Hydrophobic surface: 579.167  Hydrophilic surface: 80.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.