MMsINC Database Search


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MMsINC code: MMs01239023

Type: Neutral
Formula: C₂₃H₁₈FN₃O

SMILES:

Fc1ccc(cc1)-c1nn(cc1C(=O)NCc1ccccc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.127 kcal/mol

Physical Properties
Molecular Weight: 371.415 g/mol	logS: -6.14298	SlogP: 4.8748	Reactive groups: 0

Topological Properties
Globularity: 0.0523835	Sterimol/B1: 3.61602	Sterimol/B2: 3.63446	Sterimol/B3: 6.68626
Sterimol/B4: 8.78099	Sterimol/L: 15.6556

Surface and Volume Properties
Accessible surface: 660.474	Positive charged surface: 338.249	Negative charged surface: 322.225	Volume: 356.625
Hydrophobic surface: 597.647	Hydrophilic surface: 62.827

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.