MMsINC Database Search


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MMsINC code: MMs03116442

Type: Neutral
Formula: C₁₀H₁₃NO₄S

SMILES:

S(=O)(=O)(N(C)C)c1cc2OCCOc2cc1

InChI:

InChI=1/C10H13NO4S/c1-11(2)16(12,13)8-3-4-9-10(7-8)15-6-5-14-9/h3-4,7H,5-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6481 kcal/mol

Physical Properties
Molecular Weight: 243.283 g/mol	logS: -1.54804	SlogP: 0.7081	Reactive groups: 0

Topological Properties
Globularity: 0.0875356	Sterimol/B1: 2.08517	Sterimol/B2: 2.99753	Sterimol/B3: 4.34994
Sterimol/B4: 6.10167	Sterimol/L: 12.9404

Surface and Volume Properties
Accessible surface: 426.774	Positive charged surface: 311.391	Negative charged surface: 115.383	Volume: 211.625
Hydrophobic surface: 349.774	Hydrophilic surface: 77

Pharmacophoric Properties
Hydrogen bond donors: 0	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.