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MMsINC code: MMs01037066

Type: Neutral
Formula: C₁₉H₂₆N₂O₂S

SMILES:

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

InChI:

InChI=1/C19H26N2O2S/c1-4-21(5-2)19(17-9-7-6-8-10-17)15-20-24(22,23)18-13-11-16(3)12-14-18/h6-14,19-20H,4-5,15H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.033 kcal/mol

Physical Properties
Molecular Weight: 346.495 g/mol	logS: -4.01699	SlogP: 3.45192	Reactive groups: 0

Topological Properties
Globularity: 0.174458	Sterimol/B1: 2.34882	Sterimol/B2: 5.53894	Sterimol/B3: 5.60764
Sterimol/B4: 6.81028	Sterimol/L: 14.7769

Surface and Volume Properties
Accessible surface: 587.972	Positive charged surface: 353.743	Negative charged surface: 234.229	Volume: 342.625
Hydrophobic surface: 488.501	Hydrophilic surface: 99.471

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

MMs01037067
CHEMDIV-ZINC06809496