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ASINEX-ZINC00283526

 MMsINC code: MMs00108070
Type: Neutral
Formula: C18H25FN2O
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)C1CCC(CC1)C
InChI:   InChI=1/C18H25FN2O/c1-14-2-8-17(9-3-14)20-10-12-21(13-11-20)18(22)15-4-6-16(19)7-5-15/h4-7,14,17H,2-3,8-13H2,1H3/t14-,17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.5467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.409 g/mol  logS: -3.75309  SlogP: 3.1622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699493  Sterimol/B1: 2.28554  Sterimol/B2: 3.21162  Sterimol/B3: 4.60872
  Sterimol/B4: 5.49142  Sterimol/L: 15.9229 
 
 Surface and Volume Properties
  Accessible surface: 549.433  Positive charged surface: 381.532  Negative charged surface: 167.9  Volume: 304.5
  Hydrophobic surface: 497.157  Hydrophilic surface: 52.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00108071
ASINEX-ZINC00283526