MMsINC Database Search


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MMsINC code: MMs00059984

Type: Neutral
Formula: C₁₉H₂₃NO₂S

SMILES:

S(=O)(=O)(N1CCC(CC1)Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C19H23NO2S/c21-23(22,16-19-9-5-2-6-10-19)20-13-11-18(12-14-20)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.4573 kcal/mol

Physical Properties
Molecular Weight: 329.464 g/mol	logS: -4.01401	SlogP: 3.73747	Reactive groups: 0

Topological Properties
Globularity: 0.0581417	Sterimol/B1: 3.15404	Sterimol/B2: 3.63398	Sterimol/B3: 3.97791
Sterimol/B4: 6.02429	Sterimol/L: 18.0444

Surface and Volume Properties
Accessible surface: 583.808	Positive charged surface: 350.639	Negative charged surface: 233.169	Volume: 322.125
Hydrophobic surface: 533.271	Hydrophilic surface: 50.537

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: no related molecules available.