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CHEMDIV-ZINC06751208

 MMsINC code: MMs01014115
Type: Neutral
Formula: C19H18FNO2
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCCC(O)=O
InChI:   InChI=1/C19H18FNO2/c20-16-10-8-14(9-11-16)12-21-13-15(4-3-7-19(22)23)17-5-1-2-6-18(17)21/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.356 g/mol  logS: -3.74623  SlogP: 4.50237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0728498  Sterimol/B1: 2.40884  Sterimol/B2: 2.74114  Sterimol/B3: 4.43668
  Sterimol/B4: 8.4189  Sterimol/L: 16.9751 
 
 Surface and Volume Properties
  Accessible surface: 563.999  Positive charged surface: 322.751  Negative charged surface: 236.529  Volume: 305
  Hydrophobic surface: 446.145  Hydrophilic surface: 117.854
 
 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


MMs01014116
CHEMDIV-ZINC06751208