MMsINC Database Search


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MMsINC code: MMs00064057

Type: Neutral
Formula: C₁₅H₁₃FN₂OS

SMILES:

S=C(Nc1cc(ccc1)C(=O)C)Nc1ccc(F)cc1

InChI:

InChI=1/C15H13FN2OS/c1-10(19)11-3-2-4-14(9-11)18-15(20)17-13-7-5-12(16)6-8-13/h2-9H,1H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.569 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -5.07594	SlogP: 3.8372	Reactive groups: 0

Topological Properties
Globularity: 0.0645584	Sterimol/B1: 2.52093	Sterimol/B2: 3.3317	Sterimol/B3: 4.1263
Sterimol/B4: 6.84499	Sterimol/L: 15.0962

Surface and Volume Properties
Accessible surface: 504.939	Positive charged surface: 263.038	Negative charged surface: 241.901	Volume: 262.625
Hydrophobic surface: 383.447	Hydrophilic surface: 121.492

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