MMsINC Database Search


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MMsINC code: MMs01216975

Type: Neutral
Formula: C₂₄H₂₅FN₄O

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)c1nc(nc(C)c1C)-c1cc(ccc1)C

InChI:

InChI=1/C24H25FN4O/c1-16-7-6-8-19(15-16)22-26-18(3)17(2)23(27-22)28-11-13-29(14-12-28)24(30)20-9-4-5-10-21(20)25/h4-10,15H,11-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.343 kcal/mol

Physical Properties
Molecular Weight: 404.489 g/mol	logS: -6.43815	SlogP: 4.17036	Reactive groups: 0

Topological Properties
Globularity: 0.077774	Sterimol/B1: 3.43227	Sterimol/B2: 3.547	Sterimol/B3: 5.08959
Sterimol/B4: 8.28396	Sterimol/L: 17.8482

Surface and Volume Properties
Accessible surface: 699.78	Positive charged surface: 431.689	Negative charged surface: 262.499	Volume: 395.75
Hydrophobic surface: 644.849	Hydrophilic surface: 54.931

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.