MMsINC Database Search


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MMsINC code: MMs02066535

Type: Neutral
Formula: C₂₄H₂₂N₂O₂S

SMILES:

S(=O)(=O)(N1CCn2c(ccc2)C1c1ccc(cc1)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H22N2O2S/c1-18-8-10-20(11-9-18)24-23-7-4-14-25(23)15-16-26(24)29(27,28)22-13-12-19-5-2-3-6-21(19)17-22/h2-14,17,24H,15-16H2,1H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7914 kcal/mol

Physical Properties
Molecular Weight: 402.518 g/mol	logS: -5.82503	SlogP: 5.10552	Reactive groups: 0

Topological Properties
Globularity: 0.088191	Sterimol/B1: 2.20616	Sterimol/B2: 3.57547	Sterimol/B3: 4.29235
Sterimol/B4: 10.5314	Sterimol/L: 16.0978

Surface and Volume Properties
Accessible surface: 625.818	Positive charged surface: 360.384	Negative charged surface: 255.629	Volume: 381.375
Hydrophobic surface: 569.871	Hydrophilic surface: 55.947

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.