MMsINC Database Search


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MMsINC code: MMs01441661

Type: Neutral
Formula: C₁₉H₂₃NO₅S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccc(cc1)C(OCCOc1ccccc1)=O

InChI:

InChI=1/C19H23NO5S/c1-3-20(4-2)26(22,23)18-12-10-16(11-13-18)19(21)25-15-14-24-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5894 kcal/mol

Physical Properties
Molecular Weight: 377.461 g/mol	logS: -4.17931	SlogP: 2.9529	Reactive groups: 0

Topological Properties
Globularity: 0.0400573	Sterimol/B1: 2.69246	Sterimol/B2: 2.7679	Sterimol/B3: 4.93377
Sterimol/B4: 7.68235	Sterimol/L: 18.9918

Surface and Volume Properties
Accessible surface: 659.173	Positive charged surface: 397.997	Negative charged surface: 261.176	Volume: 357.625
Hydrophobic surface: 523.266	Hydrophilic surface: 135.907

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.