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MMsINC code: MMs03022380

Type: Neutral
Formula: C₂₂H₂₄N₂O₂S

SMILES:

s1cccc1C(O)(C(=O)N(CCN(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H24N2O2S/c1-23(2)15-16-24(19-12-7-4-8-13-19)21(25)22(26,20-14-9-17-27-20)18-10-5-3-6-11-18/h3-14,17,26H,15-16H2,1-2H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=183.638 kcal/mol

Physical Properties
Molecular Weight: 380.512 g/mol	logS: -4.5188	SlogP: 3.8903	Reactive groups: 0

Topological Properties
Globularity: 0.356801	Sterimol/B1: 3.56438	Sterimol/B2: 5.2713	Sterimol/B3: 5.85362
Sterimol/B4: 9.0612	Sterimol/L: 13.7947

Surface and Volume Properties
Accessible surface: 630.443	Positive charged surface: 380.292	Negative charged surface: 250.151	Volume: 372.375
Hydrophobic surface: 614.448	Hydrophilic surface: 15.995

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03022381
PUBCHEM-ZINC03613484