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NANOSIN-ZINC04508098

 MMsINC code: MMs02207633
Type: Neutral
Formula: C20H12ClFN2O3
SMILES:   Clc1cccc(F)c1\C=C/1\N=C(OC\1=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C20H12ClFN2O3/c1-11-17(18(24-27-11)12-6-3-2-4-7-12)19-23-16(20(25)26-19)10-13-14(21)8-5-9-15(13)22/h2-10H,1H3/b16-10-

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Potential Energy
Epot(MMFF94)=106.523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.778 g/mol  logS: -7.4412  SlogP: 4.78702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258833  Sterimol/B1: 2.11878  Sterimol/B2: 3.84888  Sterimol/B3: 6.09282
  Sterimol/B4: 9.84588  Sterimol/L: 12.7017 
 
 Surface and Volume Properties
  Accessible surface: 589.787  Positive charged surface: 260.823  Negative charged surface: 328.963  Volume: 328.75
  Hydrophobic surface: 496.562  Hydrophilic surface: 93.225
 
 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.