MMsINC Database Search


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MMsINC code: MMs02555386

Type: Neutral
Formula: C₁₇H₁₅NO₂S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C17H15NO2S/c1-18(15-10-3-2-4-11-15)21(19,20)17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3048 kcal/mol

Physical Properties
Molecular Weight: 297.378 g/mol	logS: -5.00018	SlogP: 3.6649	Reactive groups: 0

Topological Properties
Globularity: 0.129011	Sterimol/B1: 2.2883	Sterimol/B2: 3.57599	Sterimol/B3: 4.07405
Sterimol/B4: 7.68719	Sterimol/L: 13.0792

Surface and Volume Properties
Accessible surface: 480.482	Positive charged surface: 243.47	Negative charged surface: 227.853	Volume: 274.625
Hydrophobic surface: 427.556	Hydrophilic surface: 52.926

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.