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PUBCHEM-ZINC06187394

 MMsINC code: MMs03588572
Type: Neutral
Formula: C14H19FN4
SMILES:   Fc1ccc(cc1)-c1[nH]ncc1CNCCN(C)C
InChI:   InChI=1/C14H19FN4/c1-19(2)8-7-16-9-12-10-17-18-14(12)11-3-5-13(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=53.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.332 g/mol  logS: -2.14947  SlogP: 2.1334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732382  Sterimol/B1: 2.2143  Sterimol/B2: 3.98475  Sterimol/B3: 4.88002
  Sterimol/B4: 6.76873  Sterimol/L: 13.7261 
 
 Surface and Volume Properties
  Accessible surface: 499.662  Positive charged surface: 369.476  Negative charged surface: 130.186  Volume: 262.75
  Hydrophobic surface: 416.527  Hydrophilic surface: 83.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03588573
PUBCHEM-ZINC06187394