MMsINC Database Search


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MMsINC code: MMs02364923

Type: Neutral
Formula: C₁₀H₁₄N₂O₅S

SMILES:

S(Oc1ccccc1NC(OC)=O)(=O)(=O)N(C)C

InChI:

InChI=1/C10H14N2O5S/c1-12(2)18(14,15)17-9-7-5-4-6-8(9)11-10(13)16-3/h4-7H,1-3H3,(H,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3968 kcal/mol

Physical Properties
Molecular Weight: 274.297 g/mol	logS: -1.71013	SlogP: 1.0501	Reactive groups: 0

Topological Properties
Globularity: 0.137482	Sterimol/B1: 2.705	Sterimol/B2: 3.00598	Sterimol/B3: 4.13329
Sterimol/B4: 7.22123	Sterimol/L: 12.2409

Surface and Volume Properties
Accessible surface: 429.727	Positive charged surface: 290.446	Negative charged surface: 139.281	Volume: 229.75
Hydrophobic surface: 327.346	Hydrophilic surface: 102.381

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.