MMsINC Database Search


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MMsINC code: MMs01141070

Type: Neutral
Formula: C₂₄H₁₉F₂N₃O

SMILES:

Fc1ccc(cc1)-c1nn(c(c1)C(=O)NCc1ccc(F)cc1)-c1cc(ccc1)C

InChI:

InChI=1/C24H19F2N3O/c1-16-3-2-4-21(13-16)29-23(14-22(28-29)18-7-11-20(26)12-8-18)24(30)27-15-17-5-9-19(25)10-6-17/h2-14H,15H2,1H3,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9129 kcal/mol

Physical Properties
Molecular Weight: 403.432 g/mol	logS: -7.0648	SlogP: 5.32232	Reactive groups: 0

Topological Properties
Globularity: 0.0622491	Sterimol/B1: 2.6757	Sterimol/B2: 3.12317	Sterimol/B3: 4.54689
Sterimol/B4: 12.1346	Sterimol/L: 17.266

Surface and Volume Properties
Accessible surface: 690.402	Positive charged surface: 357.767	Negative charged surface: 332.635	Volume: 376.625
Hydrophobic surface: 638.451	Hydrophilic surface: 51.951

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.