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ENAMINE-ZINC06509969

 MMsINC code: MMs01666404
Type: Neutral
Formula: C19H24N2O2
SMILES:   O(C)c1ccc(cc1)C(N(C)C)CNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C19H24N2O2/c1-14-6-5-7-16(12-14)19(22)20-13-18(21(2)3)15-8-10-17(23-4)11-9-15/h5-12,18H,13H2,1-4H3,(H,20,22)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.4871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -3.7211  SlogP: 3.13182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107091  Sterimol/B1: 2.48831  Sterimol/B2: 5.05685  Sterimol/B3: 6.09278
  Sterimol/B4: 6.67785  Sterimol/L: 15.2973 
 
 Surface and Volume Properties
  Accessible surface: 597.041  Positive charged surface: 436.009  Negative charged surface: 161.032  Volume: 326.25
  Hydrophobic surface: 545.451  Hydrophilic surface: 51.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01666405
ENAMINE-ZINC06509969