MMsINC Database Search


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MMsINC code: MMs00426611

Type: Neutral
Formula: C₁₈H₂₂N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)NCCOC)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C18H22N2O4S/c1-15-8-10-17(11-9-15)25(22,23)20(16-6-4-3-5-7-16)14-18(21)19-12-13-24-2/h3-11H,12-14H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1474 kcal/mol

Physical Properties
Molecular Weight: 362.45 g/mol	logS: -3.91143	SlogP: 1.95292	Reactive groups: 0

Topological Properties
Globularity: 0.0832892	Sterimol/B1: 2.25625	Sterimol/B2: 3.56459	Sterimol/B3: 4.86095
Sterimol/B4: 10.4225	Sterimol/L: 16.616

Surface and Volume Properties
Accessible surface: 632.951	Positive charged surface: 420.273	Negative charged surface: 212.679	Volume: 340.25
Hydrophobic surface: 544.653	Hydrophilic surface: 88.298

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.