MMsINC Database Search


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MMsINC code: MMs01980917

Type: Neutral
Formula: C₂₀H₂₀N₂O₂S

SMILES:

S(=O)(=O)(NCc1ccccc1)c1ccc(NCc2ccccc2)cc1

InChI:

InChI=1/C20H20N2O2S/c23-25(24,22-16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)21-15-17-7-3-1-4-8-17/h1-14,21-22H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.1166 kcal/mol

Physical Properties
Molecular Weight: 352.458 g/mol	logS: -4.55512	SlogP: 4.31	Reactive groups: 0

Topological Properties
Globularity: 0.0460718	Sterimol/B1: 3.40365	Sterimol/B2: 3.41187	Sterimol/B3: 3.86238
Sterimol/B4: 6.62649	Sterimol/L: 19.6453

Surface and Volume Properties
Accessible surface: 640.541	Positive charged surface: 344.654	Negative charged surface: 295.886	Volume: 339
Hydrophobic surface: 537.675	Hydrophilic surface: 102.866

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