MMsINC Database Search


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MMsINC code: MMs00975522

Type: Neutral
Formula: C₂₄H₁₈FN₃

SMILES:

Fc1ccc(-n2nc(c3c2c2cc(ccc2nc3)CC)-c2ccccc2)cc1

InChI:

InChI=1/C24H18FN3/c1-2-16-8-13-22-20(14-16)24-21(15-26-22)23(17-6-4-3-5-7-17)27-28(24)19-11-9-18(25)10-12-19/h3-15H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.062 kcal/mol

Physical Properties
Molecular Weight: 367.427 g/mol	logS: -7.65331	SlogP: 5.94217	Reactive groups: 0

Topological Properties
Globularity: 0.0445057	Sterimol/B1: 2.29033	Sterimol/B2: 3.81945	Sterimol/B3: 4.96977
Sterimol/B4: 7.3416	Sterimol/L: 16.9609

Surface and Volume Properties
Accessible surface: 607.722	Positive charged surface: 326.756	Negative charged surface: 270.507	Volume: 354.25
Hydrophobic surface: 548.63	Hydrophilic surface: 59.092

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.