MMsINC Database Search


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MMsINC code: MMs02714150

Type: Neutral
Formula: C₁₃H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)N)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C13H14N2O3S/c1-15(9-13(14)16)19(17,18)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H2,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.0138 kcal/mol

Physical Properties
Molecular Weight: 278.332 g/mol	logS: -3.45488	SlogP: 0.9456	Reactive groups: 0

Topological Properties
Globularity: 0.0608442	Sterimol/B1: 2.26033	Sterimol/B2: 2.49461	Sterimol/B3: 4.50726
Sterimol/B4: 6.44864	Sterimol/L: 15.0502

Surface and Volume Properties
Accessible surface: 480.061	Positive charged surface: 271.457	Negative charged surface: 197.647	Volume: 246.5
Hydrophobic surface: 324.004	Hydrophilic surface: 156.057

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.