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MMsINC code: MMs02352661

Type: Ionized
Formula: C₁₀H₉N₂O₄S-

SMILES:

S(CC(=O)Nc1ccccc1C(=O)[O-])C(=O)N

InChI:

InChI=1/C10H10N2O4S/c11-10(16)17-5-8(13)12-7-4-2-1-3-6(7)9(14)15/h1-4H,5H2,(H2,11,16)(H,12,13)(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-1.58804 kcal/mol

Physical Properties
Molecular Weight: 253.258 g/mol	logS: -3.14322	SlogP: -0.1995	Reactive groups: 0

Topological Properties
Globularity: 0.0255526	Sterimol/B1: 2.58869	Sterimol/B2: 3.34001	Sterimol/B3: 3.55652
Sterimol/B4: 5.76833	Sterimol/L: 14.9897

Surface and Volume Properties
Accessible surface: 446.079	Positive charged surface: 216.999	Negative charged surface: 229.08	Volume: 212.125
Hydrophobic surface: 184.402	Hydrophilic surface: 261.677

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02352660
NCID-ZINC01729549