MMsINC Database Search


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MMsINC code: MMs03807707

Type: Neutral
Formula: C₁₀H₉NO₂S₂

SMILES:

S1CC=C(S(=O)(=O)c2ccccc2)C1=N

InChI:

InChI=1/C10H9NO2S2/c11-10-9(6-7-14-10)15(12,13)8-4-2-1-3-5-8/h1-6,11H,7H2/b11-10-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.3402 kcal/mol

Physical Properties
Molecular Weight: 239.319 g/mol	logS: -3.82573	SlogP: 2.06827	Reactive groups: 0

Topological Properties
Globularity: 0.151808	Sterimol/B1: 2.75503	Sterimol/B2: 3.64291	Sterimol/B3: 4.65546
Sterimol/B4: 5.01053	Sterimol/L: 12.0238

Surface and Volume Properties
Accessible surface: 406.527	Positive charged surface: 196.768	Negative charged surface: 209.758	Volume: 202.875
Hydrophobic surface: 232.145	Hydrophilic surface: 174.382

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

MMs03807708
PUBCHEM-ZINC06581598