MMsINC Database Search


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MMsINC code: MMs01816932

Type: Neutral
Formula: C₂₄H₁₉FN₄O

SMILES:

Fc1ccc(cc1)-c1nc2nc3c(nc2n1CCc1ccc(OC)cc1)cccc3

InChI:

InChI=1/C24H19FN4O/c1-30-19-12-6-16(7-13-19)14-15-29-23(17-8-10-18(25)11-9-17)28-22-24(29)27-21-5-3-2-4-20(21)26-22/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.882 kcal/mol

Physical Properties
Molecular Weight: 398.441 g/mol	logS: -8.3323	SlogP: 5.30327	Reactive groups: 0

Topological Properties
Globularity: 0.0163863	Sterimol/B1: 2.51965	Sterimol/B2: 3.18887	Sterimol/B3: 3.38532
Sterimol/B4: 10.2147	Sterimol/L: 18.489

Surface and Volume Properties
Accessible surface: 662.346	Positive charged surface: 390.129	Negative charged surface: 272.217	Volume: 374.625
Hydrophobic surface: 588.408	Hydrophilic surface: 73.938

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.