MMsINC Database Search


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MMsINC code: MMs03612658

Type: Neutral
Formula: C₂₂H₂₃NO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1C)c1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C22H23NO2S/c1-17-12-14-21(15-13-17)26(24,25)23(22-11-7-5-9-19(22)3)16-20-10-6-4-8-18(20)2/h4-15H,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9081 kcal/mol

Physical Properties
Molecular Weight: 365.497 g/mol	logS: -5.99851	SlogP: 5.27376	Reactive groups: 0

Topological Properties
Globularity: 0.115677	Sterimol/B1: 3.79492	Sterimol/B2: 4.72255	Sterimol/B3: 4.85325
Sterimol/B4: 6.78916	Sterimol/L: 15.9907

Surface and Volume Properties
Accessible surface: 572.616	Positive charged surface: 337.552	Negative charged surface: 235.065	Volume: 359.375
Hydrophobic surface: 530.104	Hydrophilic surface: 42.512

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.