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MMsINC code: MMs01244784

Type: Neutral
Formula: C₂₃H₁₈N₂O₃S

SMILES:

S(C1=C(Nc2cc(O)ccc2)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1

InChI:

InChI=1/C23H18N2O3S/c26-18-11-7-10-17(14-18)24-20-21(29-19-12-5-2-6-13-19)23(28)25(22(20)27)15-16-8-3-1-4-9-16/h1-14,24,26H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2474 kcal/mol

Physical Properties
Molecular Weight: 402.474 g/mol	logS: -6.64268	SlogP: 4.6434	Reactive groups: 1

Topological Properties
Globularity: 0.109508	Sterimol/B1: 2.63123	Sterimol/B2: 2.64208	Sterimol/B3: 5.40028
Sterimol/B4: 10.6146	Sterimol/L: 15.6149

Surface and Volume Properties
Accessible surface: 646.264	Positive charged surface: 348.54	Negative charged surface: 297.724	Volume: 372.875
Hydrophobic surface: 493.603	Hydrophilic surface: 152.661

Pharmacophoric Properties
Hydrogen bond donors: 2	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.