MMsINC Database Search


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MMsINC code: MMs01330776

Type: Neutral
Formula: C₂₅H₁₈FNO₃

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

InChI=1/C25H18FNO3/c1-16-6-8-17(9-7-16)23-14-21(20-4-2-3-5-22(20)27-23)25(29)30-15-24(28)18-10-12-19(26)13-11-18/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.759 kcal/mol

Physical Properties
Molecular Weight: 399.421 g/mol	logS: -7.61848	SlogP: 5.38902	Reactive groups: 0

Topological Properties
Globularity: 0.00354278	Sterimol/B1: 2.26036	Sterimol/B2: 2.30613	Sterimol/B3: 2.51273
Sterimol/B4: 12.1767	Sterimol/L: 18.7636

Surface and Volume Properties
Accessible surface: 684.165	Positive charged surface: 346.986	Negative charged surface: 326.558	Volume: 374.25
Hydrophobic surface: 600.562	Hydrophilic surface: 83.603

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

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Ions/Tautomers related molecules: no related molecules available.