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PUBCHEM-ZINC00255000

 MMsINC code: MMs02646263
Type: Neutral
Formula: C15H20F2N2O2
SMILES:   Fc1cc(NC(=O)CCN2CC(OC(C2)C)C)ccc1F
InChI:   InChI=1/C15H20F2N2O2/c1-10-8-19(9-11(2)21-10)6-5-15(20)18-12-3-4-13(16)14(17)7-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,20)/t10-,11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.333 g/mol  logS: -2.90264  SlogP: 2.4026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515895  Sterimol/B1: 2.38583  Sterimol/B2: 3.08066  Sterimol/B3: 3.87487
  Sterimol/B4: 6.90041  Sterimol/L: 17.2833 
 
 Surface and Volume Properties
  Accessible surface: 552.21  Positive charged surface: 361.507  Negative charged surface: 190.703  Volume: 278.25
  Hydrophobic surface: 454.541  Hydrophilic surface: 97.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02646264
PUBCHEM-ZINC00255000