MMsINC Database Search


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MMsINC code: MMs02944740

Type: Neutral
Formula: C₁₁H₁₆N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)N)C)c1cc(C)c(OC)cc1

InChI:

InChI=1/C11H16N2O4S/c1-8-6-9(4-5-10(8)17-3)18(15,16)13(2)7-11(12)14/h4-6H,7H2,1-3H3,(H2,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5075 kcal/mol

Physical Properties
Molecular Weight: 272.325 g/mol	logS: -1.78785	SlogP: 0.10942	Reactive groups: 0

Topological Properties
Globularity: 0.146921	Sterimol/B1: 2.16076	Sterimol/B2: 3.58264	Sterimol/B3: 3.99953
Sterimol/B4: 6.70198	Sterimol/L: 12.8093

Surface and Volume Properties
Accessible surface: 468.417	Positive charged surface: 334.166	Negative charged surface: 134.251	Volume: 240.25
Hydrophobic surface: 316.866	Hydrophilic surface: 151.551

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.