MMsINC Database Search


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MMsINC code: MMs02718053

Type: Neutral
Formula: C₂₂H₂₂N₂O₃S

SMILES:

S(=O)(=O)(Nc1cccc(C)c1C)c1cc(ccc1C)C(=O)Nc1ccccc1

InChI:

InChI=1/C22H22N2O3S/c1-15-8-7-11-20(17(15)3)24-28(26,27)21-14-18(13-12-16(21)2)22(25)23-19-9-5-4-6-10-19/h4-14,24H,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.354 kcal/mol

Physical Properties
Molecular Weight: 394.495 g/mol	logS: -5.81157	SlogP: 4.66496	Reactive groups: 0

Topological Properties
Globularity: 0.110704	Sterimol/B1: 2.15612	Sterimol/B2: 2.84243	Sterimol/B3: 6.81111
Sterimol/B4: 8.34491	Sterimol/L: 16.8972

Surface and Volume Properties
Accessible surface: 641.872	Positive charged surface: 341.106	Negative charged surface: 300.767	Volume: 369.25
Hydrophobic surface: 537.849	Hydrophilic surface: 104.023

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.