MMsINC Database Search


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MMsINC code: MMs02215237

Type: Ionized
Formula: C₇H₇N₂O₄S-

SMILES:

S(=O)(=O)(NN)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C7H8N2O4S/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6666 kcal/mol

Physical Properties
Molecular Weight: 215.209 g/mol	logS: -1.82127	SlogP: -1.7979	Reactive groups: 0

Topological Properties
Globularity: 0.072223	Sterimol/B1: 2.71415	Sterimol/B2: 2.71909	Sterimol/B3: 3.51618
Sterimol/B4: 4.88022	Sterimol/L: 12.2834

Surface and Volume Properties
Accessible surface: 371.15	Positive charged surface: 154.441	Negative charged surface: 216.71	Volume: 166.5
Hydrophobic surface: 128.847	Hydrophilic surface: 242.303

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

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Parent related molecule:

MMs02215236
NCID-ZINC00394397