MMsINC Database Search


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MMsINC code: MMs01974468

Type: Neutral
Formula: C₁₃H₁₂N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3022 kcal/mol

Physical Properties
Molecular Weight: 276.316 g/mol	logS: -3.58148	SlogP: 1.5863	Reactive groups: 0

Topological Properties
Globularity: 0.0244113	Sterimol/B1: 2.98475	Sterimol/B2: 3.36615	Sterimol/B3: 3.584
Sterimol/B4: 3.96756	Sterimol/L: 16.3572

Surface and Volume Properties
Accessible surface: 480.988	Positive charged surface: 241.381	Negative charged surface: 239.606	Volume: 238.625
Hydrophobic surface: 314.427	Hydrophilic surface: 166.561

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

MMs01974469
IFLAB-ZINC00125245