MMsINC Database Search


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

MMsINC code: MMs01592916

Type: Neutral
Formula: C₁₅H₉ClFNO

SMILES:

Clc1cc2nc(oc2cc1)\C=C\c1ccc(F)cc1

InChI:

InChI=1/C15H9ClFNO/c16-11-4-7-14-13(9-11)18-15(19-14)8-3-10-1-5-12(17)6-2-10/h1-9H/b8-3+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.26 kcal/mol

Physical Properties
Molecular Weight: 273.694 g/mol	logS: -5.12326	SlogP: 4.7907	Reactive groups: 0

Topological Properties
Globularity: 9.44359e-08	Sterimol/B1: 2.09736	Sterimol/B2: 2.09913	Sterimol/B3: 2.67312
Sterimol/B4: 5.19365	Sterimol/L: 17.483

Surface and Volume Properties
Accessible surface: 486.847	Positive charged surface: 206.153	Negative charged surface: 280.694	Volume: 243
Hydrophobic surface: 441.664	Hydrophilic surface: 45.183

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.