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IBS-ZINC00868245

 MMsINC code: MMs01758249
Type: Neutral
Formula: C18H13Cl2NO3
SMILES:   Clc1cc(Cl)cc2C=C(C(=O)NCCc3ccccc3)C(Oc12)=O
InChI:   InChI=1/C18H13Cl2NO3/c19-13-8-12-9-14(18(23)24-16(12)15(20)10-13)17(22)21-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=64.1066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.212 g/mol  logS: -6.25111  SlogP: 3.65467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330389  Sterimol/B1: 3.52836  Sterimol/B2: 3.58758  Sterimol/B3: 3.71896
  Sterimol/B4: 5.56205  Sterimol/L: 19.4627 
 
 Surface and Volume Properties
  Accessible surface: 599.323  Positive charged surface: 264.389  Negative charged surface: 334.934  Volume: 312.5
  Hydrophobic surface: 508.236  Hydrophilic surface: 91.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.