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NCID-ZINC01584271

 MMsINC code: MMs02240965
Type: Neutral
Formula: C20H17ClFNO
SMILES:   Clc1ccc(cc1)-c1c(c2n(CCC2)c1CO)-c1ccc(F)cc1
InChI:   InChI=1/C20H17ClFNO/c21-15-7-3-13(4-8-15)20-18(12-24)23-11-1-2-17(23)19(20)14-5-9-16(22)10-6-14/h3-10,24H,1-2,11-12H2

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Potential Energy
Epot(MMFF94)=67.2578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.813 g/mol  logS: -6.06664  SlogP: 5.58587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161114  Sterimol/B1: 2.30784  Sterimol/B2: 4.65709  Sterimol/B3: 4.78122
  Sterimol/B4: 7.87795  Sterimol/L: 14.3656 
 
 Surface and Volume Properties
  Accessible surface: 576.635  Positive charged surface: 339.897  Negative charged surface: 236.738  Volume: 321.25
  Hydrophobic surface: 508.529  Hydrophilic surface: 68.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.