MMsINC Database Search


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MMsINC code: MMs01198924

Type: Neutral
Formula: C₂₄H₂₅FN₄O₂

SMILES:

Fc1cc(ccc1)-c1nc(C)c(C)c(n1)N1CCN(CC1)C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C24H25FN4O2/c1-16-17(2)26-22(19-5-4-6-20(25)15-19)27-23(16)28-11-13-29(14-12-28)24(30)18-7-9-21(31-3)10-8-18/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)=159.66 kcal/mol

Physical Properties
Molecular Weight: 420.488 g/mol	logS: -6.01461	SlogP: 3.87054	Reactive groups: 0

Topological Properties
Globularity: 0.120311	Sterimol/B1: 2.12646	Sterimol/B2: 4.01651	Sterimol/B3: 5.52783
Sterimol/B4: 10.6058	Sterimol/L: 17.5261

Surface and Volume Properties
Accessible surface: 707.353	Positive charged surface: 462.282	Negative charged surface: 240.221	Volume: 400
Hydrophobic surface: 638.617	Hydrophilic surface: 68.736

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.