MMsINC Database Search


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MMsINC code: MMs00112520

Type: Neutral
Formula: C₁₉H₂₄N₂O₂S

SMILES:

S(=O)(=O)(N1CCN(CC1)Cc1ccccc1)c1cc(C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1492 kcal/mol

Physical Properties
Molecular Weight: 344.479 g/mol	logS: -4.06091	SlogP: 3.07634	Reactive groups: 0

Topological Properties
Globularity: 0.0967269	Sterimol/B1: 2.58211	Sterimol/B2: 3.63268	Sterimol/B3: 5.52576
Sterimol/B4: 6.18413	Sterimol/L: 16.8426

Surface and Volume Properties
Accessible surface: 606.533	Positive charged surface: 378.021	Negative charged surface: 228.511	Volume: 339.125
Hydrophobic surface: 544.812	Hydrophilic surface: 61.721

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00112521
ASINEX-ZINC00297292