MMsINC Database Search


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MMsINC code: MMs03653665

Type: Neutral
Formula: C₂₂H₂₃FN₄O₂

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)C1=NN(c2ccccc2C)C(=O)CC1

InChI:

InChI=1/C22H23FN4O2/c1-16-6-2-4-8-19(16)27-21(28)11-10-18(24-27)22(29)26-14-12-25(13-15-26)20-9-5-3-7-17(20)23/h2-9H,10-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=218.852 kcal/mol

Physical Properties
Molecular Weight: 394.45 g/mol	logS: -4.32432	SlogP: 2.96572	Reactive groups: 0

Topological Properties
Globularity: 0.148281	Sterimol/B1: 2.32615	Sterimol/B2: 5.51525	Sterimol/B3: 6.00259
Sterimol/B4: 6.26141	Sterimol/L: 15.3629

Surface and Volume Properties
Accessible surface: 645.092	Positive charged surface: 394.358	Negative charged surface: 250.734	Volume: 369.25
Hydrophobic surface: 570.637	Hydrophilic surface: 74.455

Pharmacophoric Properties
Hydrogen bond donors: 0	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.