MMsINC Database Search


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MMsINC code: MMs01199287

Type: Neutral
Formula: C₁₉H₂₄N₂O₆S

SMILES:

S(Oc1ccc(cc1)CN(CCOC)C(=O)Nc1ccc(OC)cc1)(=O)(=O)C

InChI:

InChI=1/C19H24N2O6S/c1-25-13-12-21(19(22)20-16-6-10-17(26-2)11-7-16)14-15-4-8-18(9-5-15)27-28(3,23)24/h4-11H,12-14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0924 kcal/mol

Physical Properties
Molecular Weight: 408.475 g/mol	logS: -3.55659	SlogP: 2.9805	Reactive groups: 0

Topological Properties
Globularity: 0.0650953	Sterimol/B1: 2.35823	Sterimol/B2: 2.98419	Sterimol/B3: 4.90984
Sterimol/B4: 9.67527	Sterimol/L: 18.8214

Surface and Volume Properties
Accessible surface: 675.785	Positive charged surface: 455.848	Negative charged surface: 219.937	Volume: 371.5
Hydrophobic surface: 558.006	Hydrophilic surface: 117.779

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.