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ENAMINE-ZINC03224881

 MMsINC code: MMs01315475
Type: Neutral
Formula: C19H15ClN2O3
SMILES:   Clc1cc(N)c(cc1)C(OCC(=O)Nc1c2c(ccc1)cccc2)=O
InChI:   InChI=1/C19H15ClN2O3/c20-13-8-9-15(16(21)10-13)19(24)25-11-18(23)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11,21H2,(H,22,23)

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Potential Energy
Epot(MMFF94)=110.771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.793 g/mol  logS: -6.09609  SlogP: 3.8709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135026  Sterimol/B1: 2.20401  Sterimol/B2: 3.39027  Sterimol/B3: 3.43924
  Sterimol/B4: 6.15137  Sterimol/L: 19.3716 
 
 Surface and Volume Properties
  Accessible surface: 598.191  Positive charged surface: 307.052  Negative charged surface: 280.782  Volume: 318.625
  Hydrophobic surface: 482.746  Hydrophilic surface: 115.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.