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ENAMINE-ZINC03415448

 MMsINC code: MMs01428465
Type: Neutral
Formula: C19H28N2O3
SMILES:   O1C(CN(CC1C)C(=O)CNC(=O)c1ccc(cc1)C(C)(C)C)C
InChI:   InChI=1/C19H28N2O3/c1-13-11-21(12-14(2)24-13)17(22)10-20-18(23)15-6-8-16(9-7-15)19(3,4)5/h6-9,13-14H,10-12H2,1-5H3,(H,20,23)/t13-,14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.444 g/mol  logS: -4.56307  SlogP: 2.3497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264837  Sterimol/B1: 2.45632  Sterimol/B2: 3.45096  Sterimol/B3: 3.7884
  Sterimol/B4: 7.13111  Sterimol/L: 18.6885 
 
 Surface and Volume Properties
  Accessible surface: 632.932  Positive charged surface: 428.639  Negative charged surface: 204.293  Volume: 342.625
  Hydrophobic surface: 451.727  Hydrophilic surface: 181.205
 
 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: no related molecules available.