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CHEMBRIDGE-ZINC00658103

 MMsINC code: MMs00638367
Type: Neutral
Formula: C24H26N2O2
SMILES:   O=C1N(CCN(C)C)C(=O)C2C1C(C=CC2c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H26N2O2/c1-25(2)15-16-26-23(27)21-19(17-9-5-3-6-10-17)13-14-20(22(21)24(26)28)18-11-7-4-8-12-18/h3-14,19-22H,15-16H2,1-2H3/t19-,20+,21-,22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -3.66664  SlogP: 3.2866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102322  Sterimol/B1: 2.54685  Sterimol/B2: 4.44079  Sterimol/B3: 5.66147
  Sterimol/B4: 8.24522  Sterimol/L: 16.6071 
 
 Surface and Volume Properties
  Accessible surface: 637.421  Positive charged surface: 414.548  Negative charged surface: 222.872  Volume: 378.75
  Hydrophobic surface: 556.737  Hydrophilic surface: 80.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00638368
CHEMBRIDGE-ZINC00658103