MMsINC Database Search


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MMsINC code: MMs01197366

Type: Neutral
Formula: C₂₄H₂₅FN₄O

SMILES:

Fc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(nc(C)c1C)-c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.192 kcal/mol

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

Topological Properties
Globularity: 0.0894157	Sterimol/B1: 2.31003	Sterimol/B2: 4.19329	Sterimol/B3: 4.47646
Sterimol/B4: 10.8492	Sterimol/L: 16.3639

Surface and Volume Properties
Accessible surface: 689.252	Positive charged surface: 423.337	Negative charged surface: 260.517	Volume: 394.5
Hydrophobic surface: 632.367	Hydrophilic surface: 56.885

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.