MMsINC Database Search


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

MMsINC code: MMs01166619

Type: Neutral
Formula: C₁₅H₁₄FNOS

SMILES:

s1c2c(cc1)C(N(CC2)C(=O)C)c1ccc(F)cc1

InChI:

InChI=1/C15H14FNOS/c1-10(18)17-8-6-14-13(7-9-19-14)15(17)11-2-4-12(16)5-3-11/h2-5,7,9,15H,6,8H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0482 kcal/mol

Physical Properties
Molecular Weight: 275.347 g/mol	logS: -3.4858	SlogP: 3.47667	Reactive groups: 0

Topological Properties
Globularity: 0.207864	Sterimol/B1: 2.43057	Sterimol/B2: 3.70254	Sterimol/B3: 4.11407
Sterimol/B4: 9.40093	Sterimol/L: 11.9159

Surface and Volume Properties
Accessible surface: 455.759	Positive charged surface: 258.138	Negative charged surface: 197.621	Volume: 251.75
Hydrophobic surface: 439.251	Hydrophilic surface: 16.508

Pharmacophoric Properties
Hydrogen bond donors: 0	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.