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CHEMDIV-ZINC06737071

 MMsINC code: MMs01005175
Type: Neutral
Formula: C23H25N3O3
SMILES:   O(C)c1ccc(N2CCN(CC2)CC(=O)c2cc3n(ccc3cc2)C(=O)C)cc1
InChI:   InChI=1/C23H25N3O3/c1-17(27)26-10-9-18-3-4-19(15-22(18)26)23(28)16-24-11-13-25(14-12-24)20-5-7-21(29-2)8-6-20/h3-10,15H,11-14,16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=193.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.471 g/mol  logS: -4.08723  SlogP: 3.3149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264721  Sterimol/B1: 2.54469  Sterimol/B2: 2.87723  Sterimol/B3: 4.31034
  Sterimol/B4: 7.6998  Sterimol/L: 21.8684 
 
 Surface and Volume Properties
  Accessible surface: 675.262  Positive charged surface: 447.792  Negative charged surface: 222.457  Volume: 381.875
  Hydrophobic surface: 573.101  Hydrophilic surface: 102.161
 
 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


MMs01005176
CHEMDIV-ZINC06737071