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ENAMINE-ZINC06547359

 MMsINC code: MMs01670295
Type: Neutral
Formula: C23H30N2O2
SMILES:   O1CCN(CC1CNC(=O)C(c1ccccc1)c1ccccc1)CC(C)C
InChI:   InChI=1/C23H30N2O2/c1-18(2)16-25-13-14-27-21(17-25)15-24-23(26)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H,24,26)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.505 g/mol  logS: -4.15506  SlogP: 3.2915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0812382  Sterimol/B1: 3.29677  Sterimol/B2: 3.6842  Sterimol/B3: 5.58499
  Sterimol/B4: 6.99986  Sterimol/L: 19.265 
 
 Surface and Volume Properties
  Accessible surface: 690.887  Positive charged surface: 477.684  Negative charged surface: 213.203  Volume: 385.25
  Hydrophobic surface: 613.002  Hydrophilic surface: 77.885
 
 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


MMs01670296
ENAMINE-ZINC06547359