MMsINC Database Search


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MMsINC code: MMs01206619

Type: Neutral
Formula: C₂₃H₁₉FN₄O

SMILES:

Fc1ccc(cc1)C(=O)NCCNc1nc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C23H19FN4O/c24-18-12-10-17(11-13-18)23(29)26-15-14-25-22-19-8-4-5-9-20(19)27-21(28-22)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,29)(H,25,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3909 kcal/mol

Physical Properties
Molecular Weight: 386.43 g/mol	logS: -7.16325	SlogP: 4.2778	Reactive groups: 0

Topological Properties
Globularity: 0.00317789	Sterimol/B1: 2.37397	Sterimol/B2: 2.37644	Sterimol/B3: 2.55999
Sterimol/B4: 11.6292	Sterimol/L: 18.2051

Surface and Volume Properties
Accessible surface: 674.857	Positive charged surface: 358.857	Negative charged surface: 304.929	Volume: 368.25
Hydrophobic surface: 592.748	Hydrophilic surface: 82.109

Pharmacophoric Properties
Hydrogen bond donors: 2	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.