MMsINC Database Search


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MMsINC code: MMs00883553

Type: Neutral
Formula: C₁₁H₁₇NO₅S

SMILES:

S(=O)(=O)(NCCOC)c1cc(OC)ccc1OC

InChI:

InChI=1/C11H17NO5S/c1-15-7-6-12-18(13,14)11-8-9(16-2)4-5-10(11)17-3/h4-5,8,12H,6-7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.522 kcal/mol

Physical Properties
Molecular Weight: 275.325 g/mol	logS: -1.46626	SlogP: 0.6285	Reactive groups: 0

Topological Properties
Globularity: 0.141543	Sterimol/B1: 2.25081	Sterimol/B2: 2.60865	Sterimol/B3: 6.39254
Sterimol/B4: 6.41682	Sterimol/L: 14.4553

Surface and Volume Properties
Accessible surface: 495.496	Positive charged surface: 371.629	Negative charged surface: 123.867	Volume: 243.75
Hydrophobic surface: 396.813	Hydrophilic surface: 98.683

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.