MMsINC Database Search


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

MMsINC code: MMs02328073

Type: Neutral
Formula: C₂₀H₁₅FO₃

SMILES:

Fc1c2c(cccc2)c(cc1C)C(=O)c1cccc(C)c1C(O)=O

InChI:

InChI=1/C20H15FO3/c1-11-6-5-9-15(17(11)20(23)24)19(22)16-10-12(2)18(21)14-8-4-3-7-13(14)16/h3-10H,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.727 kcal/mol

Physical Properties
Molecular Weight: 322.335 g/mol	logS: -6.23434	SlogP: 4.52494	Reactive groups: 0

Topological Properties
Globularity: 0.157715	Sterimol/B1: 4.5228	Sterimol/B2: 4.52665	Sterimol/B3: 5.22808
Sterimol/B4: 5.44086	Sterimol/L: 13.8682

Surface and Volume Properties
Accessible surface: 541.706	Positive charged surface: 281.127	Negative charged surface: 252.736	Volume: 299.75
Hydrophobic surface: 445.648	Hydrophilic surface: 96.058

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

MMs02328074
NCID-ZINC01697537