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MMsINC code: MMs02312068

Type: Ionized
Formula: C₆H₆N₂O₄S₂-2

SMILES:

S=C(NCC(=O)[O-])C(=S)NCC(=O)[O-]

InChI:

InChI=1/C6H8N2O4S2/c9-3(10)1-7-5(13)6(14)8-2-4(11)12/h1-2H2,(H,7,13)(H,8,14)(H,9,10)(H,11,12)/p-2


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.275 kcal/mol

Physical Properties
Molecular Weight: 234.256 g/mol	logS: -2.91818	SlogP: -3.6798	Reactive groups: 0

Topological Properties
Globularity: 0.103074	Sterimol/B1: 3.40089	Sterimol/B2: 3.62939	Sterimol/B3: 4.3107
Sterimol/B4: 4.57914	Sterimol/L: 13.1219

Surface and Volume Properties
Accessible surface: 418.882	Positive charged surface: 152.436	Negative charged surface: 266.447	Volume: 180.625
Hydrophobic surface: 82.0809	Hydrophilic surface: 336.8011

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 4	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:

MMs02312067
NCID-ZINC01676969