MMsINC Database Search


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MMsINC code: MMs01846373

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1ccccc1COc1cc(O)c(cc1)-c1ncncc1-c1ccc(OC)cc1

InChI:

InChI=1/C24H19FN2O3/c1-29-18-8-6-16(7-9-18)21-13-26-15-27-24(21)20-11-10-19(12-23(20)28)30-14-17-4-2-3-5-22(17)25/h2-13,15,28H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.333 kcal/mol

Physical Properties
Molecular Weight: 402.425 g/mol	logS: -6.91099	SlogP: 5.5093	Reactive groups: 0

Topological Properties
Globularity: 0.0815097	Sterimol/B1: 2.39579	Sterimol/B2: 2.52538	Sterimol/B3: 4.91402
Sterimol/B4: 10.5317	Sterimol/L: 17.4392

Surface and Volume Properties
Accessible surface: 661.374	Positive charged surface: 425.575	Negative charged surface: 230.97	Volume: 376.125
Hydrophobic surface: 547.774	Hydrophilic surface: 113.6

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.