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MAYBRIDGE-ZINC00169009

 MMsINC code: MMs02145624
Type: Neutral
Formula: C16H15ClN2O3
SMILES:   Clc1ccc(NC(=O)NCC2Oc3c(OC2)cccc3)cc1
InChI:   InChI=1/C16H15ClN2O3/c17-11-5-7-12(8-6-11)19-16(20)18-9-13-10-21-14-3-1-2-4-15(14)22-13/h1-8,13H,9-10H2,(H2,18,19,20)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=58.8941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.76 g/mol  logS: -4.20642  SlogP: 3.3015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037158  Sterimol/B1: 3.32112  Sterimol/B2: 3.37915  Sterimol/B3: 3.48365
  Sterimol/B4: 5.47265  Sterimol/L: 19.3782 
 
 Surface and Volume Properties
  Accessible surface: 563.768  Positive charged surface: 318.177  Negative charged surface: 245.591  Volume: 285.5
  Hydrophobic surface: 486.047  Hydrophilic surface: 77.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.