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CHEMDIV-ZINC04911326

 MMsINC code: MMs00964779
Type: Neutral
Formula: C16H14ClN3O3
SMILES:   Clc1cc2NC(=O)C(Oc2cc1)CC(=O)NCc1cccnc1
InChI:   InChI=1/C16H14ClN3O3/c17-11-3-4-13-12(6-11)20-16(22)14(23-13)7-15(21)19-9-10-2-1-5-18-8-10/h1-6,8,14H,7,9H2,(H,19,21)(H,20,22)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=52.6509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.759 g/mol  logS: -3.08473  SlogP: 2.4074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787344  Sterimol/B1: 2.68135  Sterimol/B2: 3.85497  Sterimol/B3: 4.25558
  Sterimol/B4: 6.92953  Sterimol/L: 15.8776 
 
 Surface and Volume Properties
  Accessible surface: 560.314  Positive charged surface: 323.062  Negative charged surface: 237.252  Volume: 289.75
  Hydrophobic surface: 421.747  Hydrophilic surface: 138.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.