MMsINC Database Search


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

MMsINC code: MMs02550433

Type: Neutral
Formula: C₁₀H₁₁FO

SMILES:

Fc1cc(ccc1OC)CC=C

InChI:

InChI=1/C10H11FO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7H,1,4H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6203 kcal/mol

Physical Properties
Molecular Weight: 166.195 g/mol	logS: -3.20185	SlogP: 2.56277	Reactive groups: 0

Topological Properties
Globularity: 0.0684348	Sterimol/B1: 2.85941	Sterimol/B2: 3.21414	Sterimol/B3: 3.36481
Sterimol/B4: 4.57736	Sterimol/L: 12.7011

Surface and Volume Properties
Accessible surface: 376.57	Positive charged surface: 242.468	Negative charged surface: 134.103	Volume: 168.625
Hydrophobic surface: 321.081	Hydrophilic surface: 55.489

Pharmacophoric Properties
Hydrogen bond donors: 0	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.