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MMsINC code: MMs03206569

Type: Neutral
Formula: C₇H₁₀Cl₂N₂O₃S

SMILES:

Cl\C(\SCC(N)C(=O)NCC(O)=O)=C\Cl

InChI:

InChI=1/C7H10Cl2N2O3S/c8-1-5(9)15-3-4(10)7(14)11-2-6(12)13/h1,4H,2-3,10H2,(H,11,14)(H,12,13)/b5-1+/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8325 kcal/mol

Physical Properties
Molecular Weight: 273.14 g/mol	logS: -2.36683	SlogP: 0.742	Reactive groups: 0

Topological Properties
Globularity: 0.0555263	Sterimol/B1: 3.12866	Sterimol/B2: 3.21895	Sterimol/B3: 4.41375
Sterimol/B4: 4.5707	Sterimol/L: 15.0597

Surface and Volume Properties
Accessible surface: 465.082	Positive charged surface: 212.738	Negative charged surface: 252.344	Volume: 213.25
Hydrophobic surface: 228.631	Hydrophilic surface: 236.451

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.