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CHEMDIV-ZINC03648875

 MMsINC code: MMs00913851
Type: Neutral
Formula: C24H26ClNO2
SMILES:   Clc1ccc(OCCn2cc(c3c2cccc3)C(=O)C2CCCCC2)cc1C
InChI:   InChI=1/C24H26ClNO2/c1-17-15-19(11-12-22(17)25)28-14-13-26-16-21(20-9-5-6-10-23(20)26)24(27)18-7-3-2-4-8-18/h5-6,9-12,15-16,18H,2-4,7-8,13-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.93 g/mol  logS: -6.4677  SlogP: 6.71152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668582  Sterimol/B1: 3.17135  Sterimol/B2: 3.66784  Sterimol/B3: 5.03534
  Sterimol/B4: 9.08805  Sterimol/L: 18.3967 
 
 Surface and Volume Properties
  Accessible surface: 693.076  Positive charged surface: 411.886  Negative charged surface: 275.825  Volume: 390.875
  Hydrophobic surface: 657.548  Hydrophilic surface: 35.528
 
 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


MMs00913852
CHEMDIV-ZINC03648875