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PUBCHEM-ZINC00785808

 MMsINC code: MMs02738181
Type: Neutral
Formula: C23H30N2O3
SMILES:   O(C)c1cc(OC)ccc1CN1CCC(CC1)C(=O)N(Cc1ccccc1)C
InChI:   InChI=1/C23H30N2O3/c1-24(16-18-7-5-4-6-8-18)23(26)19-11-13-25(14-12-19)17-20-9-10-21(27-2)15-22(20)28-3/h4-10,15,19H,11-14,16-17H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.504 g/mol  logS: -3.50043  SlogP: 4.1072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154324  Sterimol/B1: 3.65646  Sterimol/B2: 4.06093  Sterimol/B3: 5.84811
  Sterimol/B4: 7.1837  Sterimol/L: 16.34 
 
 Surface and Volume Properties
  Accessible surface: 671.027  Positive charged surface: 515.268  Negative charged surface: 155.758  Volume: 390.625
  Hydrophobic surface: 625.416  Hydrophilic surface: 45.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02738182
PUBCHEM-ZINC00785808