MMsINC Database Search


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

MMsINC code: MMs03354547

Type: Neutral
Formula: C₂₅H₁₈FNO₄

SMILES:

Fc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(OCc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C25H18FNO4/c1-30-24(28)18-8-6-16(7-9-18)15-31-25(29)21-14-23(17-10-12-19(26)13-11-17)27-22-5-3-2-4-20(21)22/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.158 kcal/mol

Physical Properties
Molecular Weight: 415.42 g/mol	logS: -7.19494	SlogP: 5.4509	Reactive groups: 0

Topological Properties
Globularity: 0.0341618	Sterimol/B1: 2.52544	Sterimol/B2: 4.72318	Sterimol/B3: 6.91604
Sterimol/B4: 7.19256	Sterimol/L: 19.0855

Surface and Volume Properties
Accessible surface: 705.334	Positive charged surface: 392.988	Negative charged surface: 302.044	Volume: 384.5
Hydrophobic surface: 613.254	Hydrophilic surface: 92.08

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.