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PUBCHEM-ZINC06564489

 MMsINC code: MMs03798778
Type: Neutral
Formula: C15H20FN3
SMILES:   Fc1ccc(cc1)-c1[nH]ncc1CN(CCCC)C
InChI:   InChI=1/C15H20FN3/c1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=46.9917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.344 g/mol  logS: -3.42673  SlogP: 3.7141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807172  Sterimol/B1: 2.40319  Sterimol/B2: 3.74377  Sterimol/B3: 5.05002
  Sterimol/B4: 6.62039  Sterimol/L: 13.3419 
 
 Surface and Volume Properties
  Accessible surface: 495.465  Positive charged surface: 336.58  Negative charged surface: 158.885  Volume: 268.875
  Hydrophobic surface: 405.305  Hydrophilic surface: 90.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03798779
PUBCHEM-ZINC06564489