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CHEMBRIDGE-ZINC02902646

 MMsINC code: MMs00739497
Type: Neutral
Formula: C23H24N2O
SMILES:   O(C)c1ccccc1CNCc1cc2c3c(n(c2cc1)CC)cccc3
InChI:   InChI=1/C23H24N2O/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2/h4-14,24H,3,15-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.4712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -5.30146  SlogP: 5.912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0953799  Sterimol/B1: 2.12528  Sterimol/B2: 2.587  Sterimol/B3: 6.209
  Sterimol/B4: 7.94138  Sterimol/L: 16.2496 
 
 Surface and Volume Properties
  Accessible surface: 649.232  Positive charged surface: 430.995  Negative charged surface: 208.334  Volume: 361.75
  Hydrophobic surface: 600.619  Hydrophilic surface: 48.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00739498
CHEMBRIDGE-ZINC02902646