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PUBCHEM-ZINC06168232

 MMsINC code: MMs03576742
Type: Neutral
Formula: C15H22FN3O2
SMILES:   Fc1ccc(cc1)CCNC(=O)C(NC(=O)N)C(CC)C
InChI:   InChI=1/C15H22FN3O2/c1-3-10(2)13(19-15(17)21)14(20)18-9-8-11-4-6-12(16)7-5-11/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,20)(H3,17,19,21)/t10-,13+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.4478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.358 g/mol  logS: -3.25321  SlogP: 1.56737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060798  Sterimol/B1: 2.14435  Sterimol/B2: 2.92123  Sterimol/B3: 3.95983
  Sterimol/B4: 7.28245  Sterimol/L: 16.4354 
 
 Surface and Volume Properties
  Accessible surface: 559.449  Positive charged surface: 355.247  Negative charged surface: 204.202  Volume: 289.625
  Hydrophobic surface: 374.001  Hydrophilic surface: 185.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.