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ENAMINE-ZINC06085534

 MMsINC code: MMs01654678
Type: Neutral
Formula: C20H14N2O3S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)Cc1oc(cn1)-c1ccccc1
InChI:   InChI=1/C20H14N2O3S/c23-26(24)18-11-5-9-15-8-4-10-16(20(15)18)22(26)13-19-21-12-17(25-19)14-6-2-1-3-7-14/h1-12H,13H2

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Potential Energy
Epot(MMFF94)=91.8767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.409 g/mol  logS: -6.16411  SlogP: 4.4701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105925  Sterimol/B1: 3.06216  Sterimol/B2: 3.65746  Sterimol/B3: 4.9717
  Sterimol/B4: 6.23295  Sterimol/L: 15.9081 
 
 Surface and Volume Properties
  Accessible surface: 580.087  Positive charged surface: 301.674  Negative charged surface: 267.752  Volume: 320.625
  Hydrophobic surface: 485.742  Hydrophilic surface: 94.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.