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ENAMINE-ZINC03557727

 MMsINC code: MMs01507425
Type: Neutral
Formula: C19H24N2O3
SMILES:   O=C1N(CCC(=O)Nc2ccccc2CC)C(=O)C2C1CCCC2
InChI:   InChI=1/C19H24N2O3/c1-2-13-7-3-6-10-16(13)20-17(22)11-12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3,6-7,10,14-15H,2,4-5,8-9,11-12H2,1H3,(H,20,22)/t14-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.412 g/mol  logS: -3.84309  SlogP: 2.75277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485232  Sterimol/B1: 2.54045  Sterimol/B2: 2.86378  Sterimol/B3: 4.98218
  Sterimol/B4: 7.34507  Sterimol/L: 17.9644 
 
 Surface and Volume Properties
  Accessible surface: 592.244  Positive charged surface: 394.144  Negative charged surface: 198.1  Volume: 324.25
  Hydrophobic surface: 474.555  Hydrophilic surface: 117.689
 
 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.