MMsINC Database Search


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

MMsINC code: MMs03354274

Type: Neutral
Formula: C₁₅H₁₀FNO

SMILES:

Fc1ccc(cc1)\C=C\c1oc2c(n1)cccc2

InChI:

InChI=1/C15H10FNO/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9888 kcal/mol

Physical Properties
Molecular Weight: 239.249 g/mol	logS: -4.38897	SlogP: 4.1373	Reactive groups: 0

Topological Properties
Globularity: 2.9807e-07	Sterimol/B1: 2.09766	Sterimol/B2: 2.10255	Sterimol/B3: 3.40495
Sterimol/B4: 4.46469	Sterimol/L: 16.3113

Surface and Volume Properties
Accessible surface: 468.954	Positive charged surface: 225.378	Negative charged surface: 243.576	Volume: 226.375
Hydrophobic surface: 421.626	Hydrophilic surface: 47.328

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.