MMsINC Database Search


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MMsINC code: MMs01762148

Type: Neutral
Formula: C₂₄H₂₂N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccccc1CNc1c2c(ccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C24H22N2O2S/c1-18-13-15-21(16-14-18)29(27,28)26-23-11-5-3-8-20(23)17-25-24-12-6-9-19-7-2-4-10-22(19)24/h2-16,25-26H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7886 kcal/mol

Physical Properties
Molecular Weight: 402.518 g/mol	logS: -6.96288	SlogP: 5.82752	Reactive groups: 0

Topological Properties
Globularity: 0.187113	Sterimol/B1: 2.38943	Sterimol/B2: 3.53926	Sterimol/B3: 6.42081
Sterimol/B4: 9.63244	Sterimol/L: 14.2308

Surface and Volume Properties
Accessible surface: 603.345	Positive charged surface: 311.338	Negative charged surface: 283.089	Volume: 385.25
Hydrophobic surface: 521.767	Hydrophilic surface: 81.578

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.