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ENAMINE-ZINC03443144

 MMsINC code: MMs01445500
Type: Neutral
Formula: C26H24N4O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)c1nc(nc2c1cccc2)-c1ccccc1)c1cc2OCCOc2cc1
InChI:   InChI=1/C26H24N4O4S/c31-35(32,20-10-11-23-24(18-20)34-17-16-33-23)30-14-12-29(13-15-30)26-21-8-4-5-9-22(21)27-25(28-26)19-6-2-1-3-7-19/h1-11,18H,12-17H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.568 g/mol  logS: -7.16509  SlogP: 3.5789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929425  Sterimol/B1: 2.45403  Sterimol/B2: 3.7547  Sterimol/B3: 4.44005
  Sterimol/B4: 11.6601  Sterimol/L: 17.5179 
 
 Surface and Volume Properties
  Accessible surface: 717.259  Positive charged surface: 441.348  Negative charged surface: 267.05  Volume: 441.875
  Hydrophobic surface: 605.496  Hydrophilic surface: 111.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: no related molecules available.