MMsINC Database Search


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MMsINC code: MMs01027130

Type: Neutral
Formula: C₂₃H₁₉FN₂OS

SMILES:

S(c1c2c([nH]c1C(=O)NCc1cc(F)ccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C23H19FN2OS/c1-15-9-11-18(12-10-15)28-22-19-7-2-3-8-20(19)26-21(22)23(27)25-14-16-5-4-6-17(24)13-16/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)=62.1255 kcal/mol

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

Topological Properties
Globularity: 0.114234	Sterimol/B1: 2.44287	Sterimol/B2: 2.68324	Sterimol/B3: 5.98593
Sterimol/B4: 10.7991	Sterimol/L: 16.3796

Surface and Volume Properties
Accessible surface: 668.255	Positive charged surface: 351.441	Negative charged surface: 313.955	Volume: 366.875
Hydrophobic surface: 611.496	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.