MMsINC Database Search


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MMsINC code: MMs00902266

Type: Neutral
Formula: C₂₂H₁₈FN₃O₂

SMILES:

Fc1ccccc1-c1nc(Nc2cc(OC)c(OC)cc2)c2c(n1)cccc2

InChI:

InChI=1/C22H18FN3O2/c1-27-19-12-11-14(13-20(19)28-2)24-22-16-8-4-6-10-18(16)25-21(26-22)15-7-3-5-9-17(15)23/h3-13H,1-2H3,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.956 kcal/mol

Physical Properties
Molecular Weight: 375.403 g/mol	logS: -7.1474	SlogP: 5.1967	Reactive groups: 0

Topological Properties
Globularity: 0.0708493	Sterimol/B1: 2.51197	Sterimol/B2: 4.71063	Sterimol/B3: 4.8422
Sterimol/B4: 9.24038	Sterimol/L: 14.4529

Surface and Volume Properties
Accessible surface: 637.177	Positive charged surface: 410.407	Negative charged surface: 218.382	Volume: 352.375
Hydrophobic surface: 581.23	Hydrophilic surface: 55.947

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.