MMsINC Database Search


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MMsINC code: MMs03726375

Type: Neutral
Formula: C₂₃H₂₅NO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1C)c1cccc(C)c1C)c1ccc(cc1)C

InChI:

InChI=1/C23H25NO2S/c1-17-12-14-22(15-13-17)27(25,26)24(16-21-10-6-5-8-19(21)3)23-11-7-9-18(2)20(23)4/h5-15H,16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.655 kcal/mol

Physical Properties
Molecular Weight: 379.524 g/mol	logS: -6.47243	SlogP: 5.58218	Reactive groups: 0

Topological Properties
Globularity: 0.125141	Sterimol/B1: 4.1314	Sterimol/B2: 4.50982	Sterimol/B3: 5.6413
Sterimol/B4: 6.07862	Sterimol/L: 15.7948

Surface and Volume Properties
Accessible surface: 597.542	Positive charged surface: 350.987	Negative charged surface: 246.555	Volume: 375.5
Hydrophobic surface: 555.338	Hydrophilic surface: 42.204

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.