MMsINC Database Search


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MMsINC code: MMs02946110

Type: Neutral
Formula: C₁₀H₁₅NO₄S

SMILES:

S(=O)(=O)(NCCOC)c1ccc(OC)cc1

InChI:

InChI=1/C10H15NO4S/c1-14-8-7-11-16(12,13)10-5-3-9(15-2)4-6-10/h3-6,11H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.1506 kcal/mol

Physical Properties
Molecular Weight: 245.299 g/mol	logS: -1.41588	SlogP: 0.6199	Reactive groups: 0

Topological Properties
Globularity: 0.121605	Sterimol/B1: 2.44666	Sterimol/B2: 2.98008	Sterimol/B3: 4.83585
Sterimol/B4: 6.49184	Sterimol/L: 14.4414

Surface and Volume Properties
Accessible surface: 465.899	Positive charged surface: 331.82	Negative charged surface: 134.079	Volume: 220.375
Hydrophobic surface: 368.23	Hydrophilic surface: 97.669

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.