MMsINC Database Search


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MMsINC code: MMs01153447

Type: Neutral
Formula: C₂₃H₁₈FN₃O

SMILES:

Fc1ccc(-n2nc(cc2C(=O)NCc2ccccc2)-c2ccccc2)cc1

InChI:

InChI=1/C23H18FN3O/c24-19-11-13-20(14-12-19)27-22(15-21(26-27)18-9-5-2-6-10-18)23(28)25-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0412 kcal/mol

Physical Properties
Molecular Weight: 371.415 g/mol	logS: -6.2959	SlogP: 4.8748	Reactive groups: 0

Topological Properties
Globularity: 0.0573353	Sterimol/B1: 3.61341	Sterimol/B2: 3.67892	Sterimol/B3: 5.54994
Sterimol/B4: 9.62904	Sterimol/L: 16.1298

Surface and Volume Properties
Accessible surface: 659.046	Positive charged surface: 344.431	Negative charged surface: 314.614	Volume: 357.875
Hydrophobic surface: 606.647	Hydrophilic surface: 52.399

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

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Ions/Tautomers related molecules: no related molecules available.