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ENAMINE-ZINC03497236

 MMsINC code: MMs01474440
Type: Neutral
Formula: C19H16ClNO4
SMILES:   Clc1ccc(OCCOC(=O)c2c(noc2C)-c2ccccc2)cc1
InChI:   InChI=1/C19H16ClNO4/c1-13-17(18(21-25-13)14-5-3-2-4-6-14)19(22)24-12-11-23-16-9-7-15(20)8-10-16/h2-10H,11-12H2,1H3

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Potential Energy
Epot(MMFF94)=87.8415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.793 g/mol  logS: -5.70054  SlogP: 4.53922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749264  Sterimol/B1: 2.43571  Sterimol/B2: 3.86063  Sterimol/B3: 4.02815
  Sterimol/B4: 9.58808  Sterimol/L: 17.8832 
 
 Surface and Volume Properties
  Accessible surface: 623.279  Positive charged surface: 300.092  Negative charged surface: 323.187  Volume: 327.625
  Hydrophobic surface: 561.512  Hydrophilic surface: 61.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.