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PUBCHEM-ZINC02784691

 MMsINC code: MMs02925558
Type: Neutral
Formula: C14H15F2N3
SMILES:   FC(F)C1n2nccc2NC(C1)c1ccc(cc1)C
InChI:   InChI=1/C14H15F2N3/c1-9-2-4-10(5-3-9)11-8-12(14(15)16)19-13(18-11)6-7-17-19/h2-7,11-12,14,18H,8H2,1H3/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=52.7596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.291 g/mol  logS: -2.94319  SlogP: 4.16552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886734  Sterimol/B1: 3.18304  Sterimol/B2: 4.04805  Sterimol/B3: 4.61274
  Sterimol/B4: 4.79219  Sterimol/L: 14.274 
 
 Surface and Volume Properties
  Accessible surface: 476.194  Positive charged surface: 285.06  Negative charged surface: 191.134  Volume: 242.5
  Hydrophobic surface: 380.417  Hydrophilic surface: 95.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.