MMsINC Database Search


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MMsINC code: MMs02224179

Type: Neutral
Formula: C₈H₁₀FNS

SMILES:

SCCNc1ccc(F)cc1

InChI:

InChI=1/C8H10FNS/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8518 kcal/mol

Physical Properties
Molecular Weight: 171.239 g/mol	logS: -2.46478	SlogP: 2.1674	Reactive groups: 1

Topological Properties
Globularity: 0.0193407	Sterimol/B1: 2.37367	Sterimol/B2: 2.37644	Sterimol/B3: 2.52713
Sterimol/B4: 5.2013	Sterimol/L: 12.974

Surface and Volume Properties
Accessible surface: 367.83	Positive charged surface: 205.786	Negative charged surface: 162.045	Volume: 160.125
Hydrophobic surface: 292.913	Hydrophilic surface: 74.917

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.