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NCID-ZINC01861387

 MMsINC code: MMs02373809
Type: Neutral
Formula: C26H24ClNO5
SMILES:   Clc1ccc(OC2=C(c3c(OC2=O)cc(OC)cc3)c2ccc(OCCN(C)C)cc2)cc1
InChI:   InChI=1/C26H24ClNO5/c1-28(2)14-15-31-19-8-4-17(5-9-19)24-22-13-12-21(30-3)16-23(22)33-26(29)25(24)32-20-10-6-18(27)7-11-20/h4-13,16H,14-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.933 g/mol  logS: -7.10017  SlogP: 4.86369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763285  Sterimol/B1: 3.86751  Sterimol/B2: 4.88408  Sterimol/B3: 6.6939
  Sterimol/B4: 10.4054  Sterimol/L: 16.9954 
 
 Surface and Volume Properties
  Accessible surface: 767.941  Positive charged surface: 504.531  Negative charged surface: 263.409  Volume: 432.125
  Hydrophobic surface: 702.454  Hydrophilic surface: 65.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02373810
NCID-ZINC01861387