MMsINC Database Search


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MMsINC code: MMs00940023

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1cc(OC)c(OC)cc1

InChI:

InChI=1/C24H19FN2O3/c1-29-22-12-11-17(13-23(22)30-2)26-24(28)19-14-21(15-7-9-16(25)10-8-15)27-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.183 kcal/mol

Physical Properties
Molecular Weight: 402.425 g/mol	logS: -6.73433	SlogP: 5.3104	Reactive groups: 0

Topological Properties
Globularity: 0.0190178	Sterimol/B1: 2.52617	Sterimol/B2: 3.9485	Sterimol/B3: 6.20013
Sterimol/B4: 7.20309	Sterimol/L: 18.5085

Surface and Volume Properties
Accessible surface: 675.002	Positive charged surface: 413.272	Negative charged surface: 250.343	Volume: 375.375
Hydrophobic surface: 610.973	Hydrophilic surface: 64.029

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.