MMsINC Database Search


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MMsINC code: MMs00877985

Type: Neutral
Formula: C₂₂H₁₈N₂O₂S

SMILES:

S(=O)(=O)(NC(c1ccccc1)c1ccccc1)c1c2ncccc2ccc1

InChI:

InChI=1/C22H18N2O2S/c25-27(26,20-15-7-13-19-14-8-16-23-22(19)20)24-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,21,24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.231 kcal/mol

Physical Properties
Molecular Weight: 374.464 g/mol	logS: -5.3472	SlogP: 4.3982	Reactive groups: 0

Topological Properties
Globularity: 0.208967	Sterimol/B1: 2.52198	Sterimol/B2: 3.43753	Sterimol/B3: 5.97484
Sterimol/B4: 8.94672	Sterimol/L: 14.8969

Surface and Volume Properties
Accessible surface: 599.295	Positive charged surface: 322.57	Negative charged surface: 272.17	Volume: 352.375
Hydrophobic surface: 533.906	Hydrophilic surface: 65.389

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.