MMsINC Database Search


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MMsINC code: MMs02248580

Type: Neutral
Formula: C₁₀H₁₂N₂O₅S

SMILES:

S(O)(=O)(=O)CNC(=O)CNC(=O)c1ccccc1

InChI:

InChI=1/C10H12N2O5S/c13-9(12-7-18(15,16)17)6-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5839 kcal/mol

Physical Properties
Molecular Weight: 272.281 g/mol	logS: -1.42963	SlogP: -1.1878	Reactive groups: 0

Topological Properties
Globularity: 0.0301317	Sterimol/B1: 2.9221	Sterimol/B2: 3.16991	Sterimol/B3: 3.18795
Sterimol/B4: 5.18918	Sterimol/L: 15.7354

Surface and Volume Properties
Accessible surface: 482.127	Positive charged surface: 254.56	Negative charged surface: 227.567	Volume: 226.5
Hydrophobic surface: 256.402	Hydrophilic surface: 225.725

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs02248581
NCID-ZINC01594197