MMsINC Database Search


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MMsINC code: MMs03430927

Type: Neutral
Formula: C₁₁H₁₁FN₂OS

SMILES:

SCCNC(=O)c1[nH]c2c(c1)cc(F)cc2

InChI:

InChI=1/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.5566 kcal/mol

Physical Properties
Molecular Weight: 238.286 g/mol	logS: -3.25727	SlogP: 1.9666	Reactive groups: 1

Topological Properties
Globularity: 0.00876656	Sterimol/B1: 2.37474	Sterimol/B2: 2.37627	Sterimol/B3: 2.83985
Sterimol/B4: 5.39823	Sterimol/L: 15.9583

Surface and Volume Properties
Accessible surface: 450.908	Positive charged surface: 236.702	Negative charged surface: 208.395	Volume: 214.125
Hydrophobic surface: 325.653	Hydrophilic surface: 125.255

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.