MMsINC Database Search


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MMsINC code: MMs01649620

Type: Neutral
Formula: C₂₃H₂₀N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccccc1Nc1ccc(cc1)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H20N2O2S/c1-17-10-13-20(14-11-17)24-22-8-4-5-9-23(22)25-28(26,27)21-15-12-18-6-2-3-7-19(18)16-21/h2-16,24-25H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.756 kcal/mol

Physical Properties
Molecular Weight: 388.491 g/mol	logS: -7.01884	SlogP: 5.69262	Reactive groups: 0

Topological Properties
Globularity: 0.181757	Sterimol/B1: 3.41906	Sterimol/B2: 4.13607	Sterimol/B3: 6.0626
Sterimol/B4: 6.76557	Sterimol/L: 16.0913

Surface and Volume Properties
Accessible surface: 633.579	Positive charged surface: 328.992	Negative charged surface: 294.862	Volume: 366.25
Hydrophobic surface: 549.423	Hydrophilic surface: 84.156

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.