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FDA-ZINC01531019

 MMsINC code: MMs01725603
Type: Neutral
Formula: C26H28ClNO
SMILES:   ClCC\C(=C(/c1ccc(OCCN(C)C)cc1)\c1ccccc1)\c1ccccc1
InChI:   InChI=1/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.969 g/mol  logS: -6.32816  SlogP: 6.03229  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103974  Sterimol/B1: 2.72417  Sterimol/B2: 5.15869  Sterimol/B3: 5.29143
  Sterimol/B4: 8.49496  Sterimol/L: 18.1282 
 
 Surface and Volume Properties
  Accessible surface: 713.243  Positive charged surface: 471.129  Negative charged surface: 242.114  Volume: 420.25
  Hydrophobic surface: 635.564  Hydrophilic surface: 77.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01725604
FDA-ZINC01531019