MMsINC Database Search


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MMsINC code: MMs01027120

Type: Neutral
Formula: C₂₃H₁₉FN₂OS

SMILES:

S(c1c2c([nH]c1C(=O)NCc1ccc(F)cc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C23H19FN2OS/c1-15-6-12-18(13-7-15)28-22-19-4-2-3-5-20(19)26-21(22)23(27)25-14-16-8-10-17(24)11-9-16/h2-13,26H,14H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8293 kcal/mol

Physical Properties
Molecular Weight: 390.482 g/mol	logS: -7.35589	SlogP: 5.96302	Reactive groups: 0

Topological Properties
Globularity: 0.112541	Sterimol/B1: 2.42991	Sterimol/B2: 2.44424	Sterimol/B3: 5.99782
Sterimol/B4: 10.795	Sterimol/L: 16.6346

Surface and Volume Properties
Accessible surface: 668.038	Positive charged surface: 351.986	Negative charged surface: 313.192	Volume: 367.875
Hydrophobic surface: 611.279	Hydrophilic surface: 56.759

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.