MMsINC Database Search


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MMsINC code: MMs00858677

Type: Neutral
Formula: C₂₄H₁₇FN₄

SMILES:

Fc1cc(Nc2ncnc3n(cc(c23)-c2ccccc2)-c2ccccc2)ccc1

InChI:

InChI=1/C24H17FN4/c25-18-10-7-11-19(14-18)28-23-22-21(17-8-3-1-4-9-17)15-29(24(22)27-16-26-23)20-12-5-2-6-13-20/h1-16H,(H,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.102 kcal/mol

Physical Properties
Molecular Weight: 380.426 g/mol	logS: -8.18551	SlogP: 5.9702	Reactive groups: 0

Topological Properties
Globularity: 0.0545734	Sterimol/B1: 2.32601	Sterimol/B2: 3.10087	Sterimol/B3: 3.3097
Sterimol/B4: 10.0822	Sterimol/L: 17.2126

Surface and Volume Properties
Accessible surface: 632.126	Positive charged surface: 353.808	Negative charged surface: 274.03	Volume: 363.875
Hydrophobic surface: 575.618	Hydrophilic surface: 56.508

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.