MMsINC Database Search


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

MMsINC code: MMs01429813

Type: Neutral
Formula: C₁₄H₁₁FO₄

SMILES:

Fc1ccccc1COC(=O)c1ccc(O)cc1O

InChI:

InChI=1/C14H11FO4/c15-12-4-2-1-3-9(12)8-19-14(18)11-6-5-10(16)7-13(11)17/h1-7,16-17H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0794 kcal/mol

Physical Properties
Molecular Weight: 262.236 g/mol	logS: -3.10559	SlogP: 2.8603	Reactive groups: 0

Topological Properties
Globularity: 0.00702716	Sterimol/B1: 2.18849	Sterimol/B2: 2.55487	Sterimol/B3: 2.55908
Sterimol/B4: 6.01879	Sterimol/L: 15.0311

Surface and Volume Properties
Accessible surface: 472.799	Positive charged surface: 256.239	Negative charged surface: 216.56	Volume: 233.25
Hydrophobic surface: 342.544	Hydrophilic surface: 130.255

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.