MMsINC Database Search


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MMsINC code: MMs02614238

Type: Neutral
Formula: C₂₄H₁₉FN₄

SMILES:

Fc1ccc(cc1)-c1cc(cnc1)-c1nc(nc(NCC=C)c1)-c1ccccc1

InChI:

InChI=1/C24H19FN4/c1-2-12-27-23-14-22(28-24(29-23)18-6-4-3-5-7-18)20-13-19(15-26-16-20)17-8-10-21(25)11-9-17/h2-11,13-16H,1,12H2,(H,27,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2431 kcal/mol

Physical Properties
Molecular Weight: 382.442 g/mol	logS: -7.43575	SlogP: 5.6096	Reactive groups: 0

Topological Properties
Globularity: 0.00728145	Sterimol/B1: 2.18328	Sterimol/B2: 2.25317	Sterimol/B3: 3.2328
Sterimol/B4: 11.6083	Sterimol/L: 18.7358

Surface and Volume Properties
Accessible surface: 666.459	Positive charged surface: 354.219	Negative charged surface: 292.393	Volume: 372.125
Hydrophobic surface: 534.871	Hydrophilic surface: 131.588

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.