MMsINC Database Search


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MMsINC code: MMs00112522

Type: Neutral
Formula: C₁₄H₁₆N₂O₂S

SMILES:

S(=O)(=O)(NCc1ncccc1)c1cc(C)c(cc1)C

InChI:

InChI=1/C14H16N2O2S/c1-11-6-7-14(9-12(11)2)19(17,18)16-10-13-5-3-4-8-15-13/h3-9,16H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0921 kcal/mol

Physical Properties
Molecular Weight: 276.36 g/mol	logS: -2.83338	SlogP: 2.44334	Reactive groups: 0

Topological Properties
Globularity: 0.124657	Sterimol/B1: 2.79156	Sterimol/B2: 2.8726	Sterimol/B3: 4.84873
Sterimol/B4: 6.19383	Sterimol/L: 15.3847

Surface and Volume Properties
Accessible surface: 512.052	Positive charged surface: 295.765	Negative charged surface: 216.287	Volume: 260.375
Hydrophobic surface: 414.47	Hydrophilic surface: 97.582

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.