MMsINC Database Search


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MMsINC code: MMs02343613

Type: Neutral
Formula: C₁₉H₁₇NO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H17NO2S/c21-23(22,19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9891 kcal/mol

Physical Properties
Molecular Weight: 323.416 g/mol	logS: -4.8902	SlogP: 4.3485	Reactive groups: 0

Topological Properties
Globularity: 0.126864	Sterimol/B1: 3.26716	Sterimol/B2: 3.58964	Sterimol/B3: 3.97474
Sterimol/B4: 8.44895	Sterimol/L: 14.7459

Surface and Volume Properties
Accessible surface: 539.796	Positive charged surface: 290.75	Negative charged surface: 249.047	Volume: 309.125
Hydrophobic surface: 495.941	Hydrophilic surface: 43.855

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.