MMsINC Database Search


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MMsINC code: MMs02335208

Type: Neutral
Formula: C₁₅H₁₇NO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H17NO2S/c1-13-8-10-15(11-9-13)19(17,18)16(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.8064 kcal/mol

Physical Properties
Molecular Weight: 275.372 g/mol	logS: -3.54026	SlogP: 3.08212	Reactive groups: 0

Topological Properties
Globularity: 0.0600152	Sterimol/B1: 2.8313	Sterimol/B2: 3.58155	Sterimol/B3: 4.45017
Sterimol/B4: 4.75606	Sterimol/L: 16.0172

Surface and Volume Properties
Accessible surface: 494.984	Positive charged surface: 290.905	Negative charged surface: 204.079	Volume: 268
Hydrophobic surface: 444.163	Hydrophilic surface: 50.821

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.