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AURORAFEINCHEMIE-ZINC03449151

 MMsINC code: MMs00456343
Type: Neutral
Formula: C19H27FN2O2
SMILES:   Fc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NC1CCC(CC1)C
InChI:   InChI=1/C19H27FN2O2/c1-12(2)17(19(24)21-16-10-4-13(3)5-11-16)22-18(23)14-6-8-15(20)9-7-14/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,23)/t13-,16+,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.1115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.435 g/mol  logS: -4.71567  SlogP: 3.275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709065  Sterimol/B1: 3.31846  Sterimol/B2: 4.0333  Sterimol/B3: 4.10566
  Sterimol/B4: 5.2365  Sterimol/L: 17.6841 
 
 Surface and Volume Properties
  Accessible surface: 591.122  Positive charged surface: 373.709  Negative charged surface: 217.412  Volume: 333.375
  Hydrophobic surface: 489.237  Hydrophilic surface: 101.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.