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CHEMDIV-ZINC06915957

 MMsINC code: MMs01061273
Type: Neutral
Formula: C18H14N2O3S
SMILES:   s1c2CCc3c(onc3C(=O)Nc3ccc(cc3)C(=O)C)-c2cc1
InChI:   InChI=1/C18H14N2O3S/c1-10(21)11-2-4-12(5-3-11)19-18(22)16-14-6-7-15-13(8-9-24-15)17(14)23-20-16/h2-5,8-9H,6-7H2,1H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=89.7945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.387 g/mol  logS: -4.88716  SlogP: 3.95654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195415  Sterimol/B1: 3.02517  Sterimol/B2: 3.28413  Sterimol/B3: 3.96699
  Sterimol/B4: 4.23463  Sterimol/L: 19.594 
 
 Surface and Volume Properties
  Accessible surface: 571.913  Positive charged surface: 304.845  Negative charged surface: 267.068  Volume: 300.375
  Hydrophobic surface: 457.373  Hydrophilic surface: 114.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.