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MMsINC code: MMs01705353

Type: Neutral
Formula: C₁₉H₂₂N₂O₃S

SMILES:

S(CC(=O)NCCOC)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C19H22N2O3S/c1-24-12-11-20-18(22)14-25-17-10-6-5-9-16(17)19(23)21-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1913 kcal/mol

Physical Properties
Molecular Weight: 358.462 g/mol	logS: -4.63552	SlogP: 2.7377	Reactive groups: 0

Topological Properties
Globularity: 0.0253864	Sterimol/B1: 2.91359	Sterimol/B2: 3.81776	Sterimol/B3: 4.4009
Sterimol/B4: 6.12072	Sterimol/L: 22.0258

Surface and Volume Properties
Accessible surface: 667.604	Positive charged surface: 448.086	Negative charged surface: 219.518	Volume: 347.75
Hydrophobic surface: 553.804	Hydrophilic surface: 113.8

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.