MMsINC Database Search


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MMsINC code: MMs01167176

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccccc1-c1nn(c(c1)C(=O)NCc1ccccc1)-c1cc(ccc1)C

InChI:

InChI=1/C24H20FN3O/c1-17-8-7-11-19(14-17)28-23(24(29)26-16-18-9-3-2-4-10-18)15-22(27-28)20-12-5-6-13-21(20)25/h2-15H,16H2,1H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6121 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -6.76982	SlogP: 5.18322	Reactive groups: 0

Topological Properties
Globularity: 0.0625466	Sterimol/B1: 2.67548	Sterimol/B2: 3.13041	Sterimol/B3: 4.54489
Sterimol/B4: 11.8482	Sterimol/L: 17.0229

Surface and Volume Properties
Accessible surface: 682.301	Positive charged surface: 377.936	Negative charged surface: 304.366	Volume: 374.125
Hydrophobic surface: 630.35	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.