MMsINC Database Search


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MMsINC code: MMs03438046

Type: Neutral
Formula: C₁₂H₁₂N₂O₃S

SMILES:

S(=O)(=O)(NCC(=O)N)c1c2c(ccc1)cccc2

InChI:

InChI=1/C12H12N2O3S/c13-12(15)8-14-18(16,17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,14H,8H2,(H2,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.994 kcal/mol

Physical Properties
Molecular Weight: 264.305 g/mol	logS: -3.3793	SlogP: 0.6034	Reactive groups: 0

Topological Properties
Globularity: 0.199863	Sterimol/B1: 2.81367	Sterimol/B2: 3.06838	Sterimol/B3: 5.26074
Sterimol/B4: 7.14762	Sterimol/L: 12.1568

Surface and Volume Properties
Accessible surface: 445.212	Positive charged surface: 233.853	Negative charged surface: 203.852	Volume: 227.375
Hydrophobic surface: 259.373	Hydrophilic surface: 185.839

Pharmacophoric Properties
Hydrogen bond donors: 2	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.