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MMsINC code: MMs01770059

Type: Neutral
Formula: C₁₈H₁₆N₂O₄S

SMILES:

S1\C(=C/c2cc(OC)c(OC)cc2)\C(=O)N=C1Nc1ccc(O)cc1

InChI:

InChI=1/C18H16N2O4S/c1-23-14-8-3-11(9-15(14)24-2)10-16-17(22)20-18(25-16)19-12-4-6-13(21)7-5-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.263 kcal/mol

Physical Properties
Molecular Weight: 356.402 g/mol	logS: -4.7481	SlogP: 3.4918	Reactive groups: 0

Topological Properties
Globularity: 0.0211092	Sterimol/B1: 2.04515	Sterimol/B2: 2.63237	Sterimol/B3: 3.65598
Sterimol/B4: 7.99592	Sterimol/L: 18.9501

Surface and Volume Properties
Accessible surface: 607.84	Positive charged surface: 391.259	Negative charged surface: 216.581	Volume: 319.375
Hydrophobic surface: 426.436	Hydrophilic surface: 181.404

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.