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MMsINC code: MMs00566872

Type: Neutral
Formula: C₂₄H₂₁FN₄O

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc2nc3n(CCN(C3)Cc3ccccc3)c2cc1

InChI:

InChI=1/C24H21FN4O/c25-19-8-6-18(7-9-19)24(30)26-20-10-11-22-21(14-20)27-23-16-28(12-13-29(22)23)15-17-4-2-1-3-5-17/h1-11,14H,12-13,15-16H2,(H,26,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.119 kcal/mol

Physical Properties
Molecular Weight: 400.457 g/mol	logS: -5.58357	SlogP: 5.2427	Reactive groups: 0

Topological Properties
Globularity: 0.0293527	Sterimol/B1: 2.4871	Sterimol/B2: 3.3868	Sterimol/B3: 4.16281
Sterimol/B4: 8.3095	Sterimol/L: 20.2827

Surface and Volume Properties
Accessible surface: 676.836	Positive charged surface: 396.695	Negative charged surface: 280.141	Volume: 381.125
Hydrophobic surface: 604.471	Hydrophilic surface: 72.365

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: 0

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Ions/Tautomers related molecules

MMs00566873
CHEMBLOCK-ZINC04629027