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PUBCHEM-ZINC03741609

 MMsINC code: MMs03067002
Type: Neutral
Formula: C24H25ClN2O
SMILES:   Clc1ccc2c([nH]c(-c3cc4c(cc3OC)cccc4)c2CCCCN)c1C
InChI:   InChI=1/C24H25ClN2O/c1-15-21(25)11-10-19-18(9-5-6-12-26)24(27-23(15)19)20-13-16-7-3-4-8-17(16)14-22(20)28-2/h3-4,7-8,10-11,13-14,27H,5-6,9,12,26H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.93 g/mol  logS: -7.02291  SlogP: 6.23989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25312  Sterimol/B1: 2.14954  Sterimol/B2: 3.69887  Sterimol/B3: 6.99095
  Sterimol/B4: 11.1622  Sterimol/L: 17.0429 
 
 Surface and Volume Properties
  Accessible surface: 679.792  Positive charged surface: 431.328  Negative charged surface: 233.877  Volume: 388.25
  Hydrophobic surface: 596.674  Hydrophilic surface: 83.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03067003
PUBCHEM-ZINC03741609