MMsINC Database Search


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MMsINC code: MMs02355818

Type: Neutral
Formula: C₁₁H₁₇NO₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(OC)cc1)CCO)C

InChI:

InChI=1/C11H17NO4S/c1-16-11-5-3-10(4-6-11)9-12(7-8-13)17(2,14)15/h3-6,13H,7-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9118 kcal/mol

Physical Properties
Molecular Weight: 259.326 g/mol	logS: -1.09032	SlogP: 0.7155	Reactive groups: 0

Topological Properties
Globularity: 0.113161	Sterimol/B1: 2.99972	Sterimol/B2: 3.44582	Sterimol/B3: 4.26015
Sterimol/B4: 5.66754	Sterimol/L: 14.1839

Surface and Volume Properties
Accessible surface: 460.704	Positive charged surface: 321.164	Negative charged surface: 139.539	Volume: 238.25
Hydrophobic surface: 348.261	Hydrophilic surface: 112.443

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.