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MMsINC code: MMs03812676

Type: Neutral
Formula: C₁₉H₂₄N₂O₂S

SMILES:

S(=O)(=O)(N(CC)C1CCN(C1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2O2S/c1-2-21(24(22,23)19-11-7-4-8-12-19)18-13-14-20(16-18)15-17-9-5-3-6-10-17/h3-12,18H,2,13-16H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8497 kcal/mol

Physical Properties
Molecular Weight: 344.479 g/mol	logS: -3.64205	SlogP: 3.2381	Reactive groups: 0

Topological Properties
Globularity: 0.0922532	Sterimol/B1: 2.17283	Sterimol/B2: 3.39452	Sterimol/B3: 4.60135
Sterimol/B4: 7.67389	Sterimol/L: 16.6494

Surface and Volume Properties
Accessible surface: 585.165	Positive charged surface: 353.662	Negative charged surface: 231.503	Volume: 338
Hydrophobic surface: 509.955	Hydrophilic surface: 75.21

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs03812677
PUBCHEM-ZINC06594265