MMsINC Database Search


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MMsINC code: MMs01382816

Type: Neutral
Formula: C₁₄H₁₄FNOS

SMILES:

s1cc(cc1)CC(=O)NC(C)c1ccc(F)cc1

InChI:

InChI=1/C14H14FNOS/c1-10(12-2-4-13(15)5-3-12)16-14(17)8-11-6-7-18-9-11/h2-7,9-10H,8H2,1H3,(H,16,17)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4175 kcal/mol

Physical Properties
Molecular Weight: 263.336 g/mol	logS: -3.63632	SlogP: 3.40257	Reactive groups: 0

Topological Properties
Globularity: 0.110494	Sterimol/B1: 1.969	Sterimol/B2: 3.51924	Sterimol/B3: 4.07489
Sterimol/B4: 5.92033	Sterimol/L: 15.6852

Surface and Volume Properties
Accessible surface: 494.957	Positive charged surface: 246.077	Negative charged surface: 248.88	Volume: 247.125
Hydrophobic surface: 445.088	Hydrophilic surface: 49.869

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.