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PUBCHEM-ZINC02555533

MMsINC code: MMs02900379

Type: Neutral
Formula: C10H14FNO
SMILES:   Fc1ccc(cc1)CNCCCO
InChI:   InChI=1/C10H14FNO/c11-10-4-2-9(3-5-10)8-12-6-1-7-13/h2-5,12-13H,1,6-8H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=18.1134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.226 g/mol  logS: -1.41959  SlogP: 1.5641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642997  Sterimol/B1: 2.45559  Sterimol/B2: 2.93976  Sterimol/B3: 3.20806
  Sterimol/B4: 4.82179  Sterimol/L: 14.627 
 
 Surface and Volume Properties
  Accessible surface: 414.725  Positive charged surface: 281.536  Negative charged surface: 133.19  Volume: 185.875
  Hydrophobic surface: 341.024  Hydrophilic surface: 73.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02900380
PUBCHEM-ZINC02555533