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OTAVA-ZINC04747751

 MMsINC code: MMs02585888
Type: Neutral
Formula: C14H19FN2O2
SMILES:   Fc1ccccc1NC(=O)CN1CC(OC(C1)C)C
InChI:   InChI=1/C14H19FN2O2/c1-10-7-17(8-11(2)19-10)9-14(18)16-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)/t10-,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.39 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.316 g/mol  logS: -2.72574  SlogP: 1.8734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568811  Sterimol/B1: 2.46952  Sterimol/B2: 3.07833  Sterimol/B3: 3.99382
  Sterimol/B4: 5.36188  Sterimol/L: 15.6681 
 
 Surface and Volume Properties
  Accessible surface: 497.718  Positive charged surface: 340.275  Negative charged surface: 157.443  Volume: 256.125
  Hydrophobic surface: 414.473  Hydrophilic surface: 83.245
 
 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


MMs02585889
OTAVA-ZINC04747751