MMsINC Database Search


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MMsINC code: MMs01297132

Type: Neutral
Formula: C₁₉H₂₄N₂O₂S

SMILES:

S(=O)(=O)(NC(CN1CCc2c(C1)cccc2)(C)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1137 kcal/mol

Physical Properties
Molecular Weight: 344.479 g/mol	logS: -3.72694	SlogP: 3.06817	Reactive groups: 0

Topological Properties
Globularity: 0.0847409	Sterimol/B1: 2.35181	Sterimol/B2: 3.31212	Sterimol/B3: 5.17315
Sterimol/B4: 6.19913	Sterimol/L: 16.8568

Surface and Volume Properties
Accessible surface: 566.202	Positive charged surface: 336.345	Negative charged surface: 229.857	Volume: 334.25
Hydrophobic surface: 483.585	Hydrophilic surface: 82.617

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01297133
ENAMINE-ZINC03179577