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PUBCHEM-ZINC05984817

 MMsINC code: MMs03477219
Type: Neutral
Formula: C15H21FN2O3
SMILES:   Fc1ccccc1CNC(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C15H21FN2O3/c1-4-10(2)13(14(19)21-3)18-15(20)17-9-11-7-5-6-8-12(11)16/h5-8,10,13H,4,9H2,1-3H3,(H2,17,18,20)/t10-,13+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.4133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.342 g/mol  logS: -3.32135  SlogP: 2.479  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0718799  Sterimol/B1: 2.45492  Sterimol/B2: 3.48354  Sterimol/B3: 3.64594
  Sterimol/B4: 8.95674  Sterimol/L: 14.9412 
 
 Surface and Volume Properties
  Accessible surface: 562.684  Positive charged surface: 367.411  Negative charged surface: 195.273  Volume: 287.25
  Hydrophobic surface: 443.164  Hydrophilic surface: 119.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.