MMsINC Database Search


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MMsINC code: MMs02784828

Type: Neutral
Formula: C₂₃H₁₈N₂O₂S

SMILES:

s1c(c(nc1NC(=O)c1ccccc1)-c1ccccc1)-c1ccc(OC)cc1

InChI:

InChI=1/C23H18N2O2S/c1-27-19-14-12-17(13-15-19)21-20(16-8-4-2-5-9-16)24-23(28-21)25-22(26)18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.915 kcal/mol

Physical Properties
Molecular Weight: 386.475 g/mol	logS: -7.66698	SlogP: 5.738	Reactive groups: 0

Topological Properties
Globularity: 0.0277348	Sterimol/B1: 2.51304	Sterimol/B2: 3.45732	Sterimol/B3: 4.13261
Sterimol/B4: 7.51745	Sterimol/L: 20.2991

Surface and Volume Properties
Accessible surface: 653.188	Positive charged surface: 376.555	Negative charged surface: 276.634	Volume: 369
Hydrophobic surface: 588.923	Hydrophilic surface: 64.265

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.