MMsINC Database Search


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MMsINC code: MMs00975528

Type: Neutral
Formula: C₂₄H₁₈FN₃

SMILES:

Fc1cc(-n2nc(c3c2c2cc(ccc2nc3)CC)-c2ccccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.056 kcal/mol

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

Topological Properties
Globularity: 0.0452656	Sterimol/B1: 2.31021	Sterimol/B2: 3.87059	Sterimol/B3: 4.97228
Sterimol/B4: 7.57257	Sterimol/L: 16.9624

Surface and Volume Properties
Accessible surface: 606.265	Positive charged surface: 328.543	Negative charged surface: 267.262	Volume: 356.5
Hydrophobic surface: 547.173	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.