MMsINC Database Search


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

MMsINC code: MMs02210796

Type: Neutral
Formula: C₁₆H₁₀F₄O

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)/C(/F)=C/c1ccccc1

InChI:

InChI=1/C16H10F4O/c17-14(10-11-4-2-1-3-5-11)15(21)12-6-8-13(9-7-12)16(18,19)20/h1-10H/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2991 kcal/mol

Physical Properties
Molecular Weight: 294.247 g/mol	logS: -5.4093	SlogP: 5.3191	Reactive groups: 1

Topological Properties
Globularity: 0.00702855	Sterimol/B1: 2.39676	Sterimol/B2: 2.68435	Sterimol/B3: 3.14945
Sterimol/B4: 5.56085	Sterimol/L: 16.0968

Surface and Volume Properties
Accessible surface: 485.762	Positive charged surface: 190.644	Negative charged surface: 295.117	Volume: 248.875
Hydrophobic surface: 346.295	Hydrophilic surface: 139.467

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.