MMsINC Database Search


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MMsINC code: MMs00903988

Type: Neutral
Formula: C₂₃H₂₃FN₂O₄S

SMILES:

S(=O)(=O)(NCc1ccccc1OC)c1cc(C(=O)Nc2ccccc2CC)c(F)cc1

InChI:

InChI=1/C23H23FN2O4S/c1-3-16-8-4-6-10-21(16)26-23(27)19-14-18(12-13-20(19)24)31(28,29)25-15-17-9-5-7-11-22(17)30-2/h4-14,25H,3,15H2,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3031 kcal/mol

Physical Properties
Molecular Weight: 442.511 g/mol	logS: -5.9818	SlogP: 4.39387	Reactive groups: 0

Topological Properties
Globularity: 0.0989167	Sterimol/B1: 2.63225	Sterimol/B2: 2.69583	Sterimol/B3: 6.43446
Sterimol/B4: 8.41571	Sterimol/L: 18.3773

Surface and Volume Properties
Accessible surface: 693.82	Positive charged surface: 400.694	Negative charged surface: 293.125	Volume: 401.875
Hydrophobic surface: 569.953	Hydrophilic surface: 123.867

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.