MMsINC Database Search


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

MMsINC code: MMs00628130

Type: Neutral
Formula: C₁₂H₁₀FNOS

SMILES:

s1cccc1CNC(=O)c1ccccc1F

InChI:

InChI=1/C12H10FNOS/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.0563 kcal/mol

Physical Properties
Molecular Weight: 235.282 g/mol	logS: -3.40056	SlogP: 3.0836	Reactive groups: 0

Topological Properties
Globularity: 0.0426063	Sterimol/B1: 2.56273	Sterimol/B2: 3.35202	Sterimol/B3: 3.86348
Sterimol/B4: 5.93065	Sterimol/L: 13.9508

Surface and Volume Properties
Accessible surface: 439.663	Positive charged surface: 208.847	Negative charged surface: 230.817	Volume: 210.875
Hydrophobic surface: 396.92	Hydrophilic surface: 42.743

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.