MMsINC Database Search


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MMsINC code: MMs00250437

Type: Neutral
Formula: C₂₃H₁₈FN₃O₂

SMILES:

Fc1ccccc1NC(=O)CN1C(=Nc2c(cccc2)C1=O)Cc1ccccc1

InChI:

InChI=1/C23H18FN3O2/c24-18-11-5-7-13-20(18)26-22(28)15-27-21(14-16-8-2-1-3-9-16)25-19-12-6-4-10-17(19)23(27)29/h1-13H,14-15H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.702 kcal/mol

Physical Properties
Molecular Weight: 387.414 g/mol	logS: -6.20624	SlogP: 4.19287	Reactive groups: 0

Topological Properties
Globularity: 0.136303	Sterimol/B1: 2.15394	Sterimol/B2: 3.38314	Sterimol/B3: 4.81905
Sterimol/B4: 10.638	Sterimol/L: 15.3685

Surface and Volume Properties
Accessible surface: 648.206	Positive charged surface: 361.663	Negative charged surface: 286.543	Volume: 360.25
Hydrophobic surface: 576.65	Hydrophilic surface: 71.556

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.