MMsINC Database Search


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MMsINC code: MMs02525490

Type: Neutral
Formula: C₁₈H₂₂N₂O₅S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NCCOc1ccccc1OC

InChI:

InChI=1/C18H22N2O5S/c1-20(2)26(22,23)15-10-8-14(9-11-15)18(21)19-12-13-25-17-7-5-4-6-16(17)24-3/h4-11H,12-13H2,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6063 kcal/mol

Physical Properties
Molecular Weight: 378.449 g/mol	logS: -3.33967	SlogP: 1.7543	Reactive groups: 0

Topological Properties
Globularity: 0.0618085	Sterimol/B1: 2.60044	Sterimol/B2: 3.82515	Sterimol/B3: 4.27303
Sterimol/B4: 8.05079	Sterimol/L: 17.8503

Surface and Volume Properties
Accessible surface: 660.407	Positive charged surface: 453.142	Negative charged surface: 207.264	Volume: 348.125
Hydrophobic surface: 552.55	Hydrophilic surface: 107.857

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.