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MMsINC code: MMs03291173

Type: Neutral
Formula: C₁₁H₁₆N₂O₅S

SMILES:

S(=O)(=O)(N(C)C)NC(C(O)c1ccccc1)C(O)=O

InChI:

InChI=1/C11H16N2O5S/c1-13(2)19(17,18)12-9(11(15)16)10(14)8-6-4-3-5-7-8/h3-7,9-10,12,14H,1-2H3,(H,15,16)/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7267 kcal/mol

Physical Properties
Molecular Weight: 288.324 g/mol	logS: -0.73307	SlogP: -0.3353	Reactive groups: 0

Topological Properties
Globularity: 0.168741	Sterimol/B1: 3.3171	Sterimol/B2: 3.93929	Sterimol/B3: 4.36023
Sterimol/B4: 4.56922	Sterimol/L: 13.613

Surface and Volume Properties
Accessible surface: 464.289	Positive charged surface: 292.261	Negative charged surface: 172.029	Volume: 246
Hydrophobic surface: 305.753	Hydrophilic surface: 158.536

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03291174
PUBCHEM-ZINC05509112