MMsINC Database Search


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MMsINC code: MMs00119675

Type: Neutral
Formula: C₁₅H₁₄FNOS

SMILES:

S(C(C(=O)Nc1ccc(F)cc1)C)c1ccccc1

InChI:

InChI=1/C15H14FNOS/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,1H3,(H,17,18)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2165 kcal/mol

Physical Properties
Molecular Weight: 275.347 g/mol	logS: -5.0249	SlogP: 3.945	Reactive groups: 0

Topological Properties
Globularity: 0.146562	Sterimol/B1: 2.12733	Sterimol/B2: 3.18381	Sterimol/B3: 4.27215
Sterimol/B4: 8.38222	Sterimol/L: 13.5943

Surface and Volume Properties
Accessible surface: 500.924	Positive charged surface: 255.921	Negative charged surface: 245.002	Volume: 256.5
Hydrophobic surface: 424.486	Hydrophilic surface: 76.438

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.