MMsINC Database Search


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MMsINC code: MMs00734131

Type: Neutral
Formula: C₁₇H₁₁FN₂S

SMILES:

s1cc(nc1-c1ccccc1F)-c1c2c([nH]c1)cccc2

InChI:

InChI=1/C17H11FN2S/c18-14-7-3-1-6-12(14)17-20-16(10-21-17)13-9-19-15-8-4-2-5-11(13)15/h1-10,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7952 kcal/mol

Physical Properties
Molecular Weight: 294.353 g/mol	logS: -5.92023	SlogP: 5.0975	Reactive groups: 0

Topological Properties
Globularity: 4.77452e-07	Sterimol/B1: 2.18313	Sterimol/B2: 2.18687	Sterimol/B3: 2.47264
Sterimol/B4: 7.74853	Sterimol/L: 15.0126

Surface and Volume Properties
Accessible surface: 498.589	Positive charged surface: 229.598	Negative charged surface: 257.633	Volume: 272.125
Hydrophobic surface: 431.018	Hydrophilic surface: 67.571

Pharmacophoric Properties
Hydrogen bond donors: 1	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.