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ASINEX-ZINC00918414

 MMsINC code: MMs00219879
Type: Neutral
Formula: C26H26N2O4S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)ccc2NC1=O)CCc1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C26H26N2O4S/c1-19-8-11-24(12-9-19)33(30,31)28(15-14-20-6-4-3-5-7-20)18-22-16-21-17-23(32-2)10-13-25(21)27-26(22)29/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=82.8003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.57 g/mol  logS: -6.28635  SlogP: 4.27269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779117  Sterimol/B1: 2.59067  Sterimol/B2: 3.69142  Sterimol/B3: 4.28682
  Sterimol/B4: 11.9089  Sterimol/L: 18.8298 
 
 Surface and Volume Properties
  Accessible surface: 736.751  Positive charged surface: 443.185  Negative charged surface: 293.566  Volume: 433.75
  Hydrophobic surface: 642.608  Hydrophilic surface: 94.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.