MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01382817

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5258 kcal/mol

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

Topological Properties
Globularity: 0.0977287	Sterimol/B1: 2.16991	Sterimol/B2: 2.85412	Sterimol/B3: 4.22865
Sterimol/B4: 5.6743	Sterimol/L: 15.5977

Surface and Volume Properties
Accessible surface: 497.098	Positive charged surface: 247.981	Negative charged surface: 249.117	Volume: 247.375
Hydrophobic surface: 446.595	Hydrophilic surface: 50.503

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.