MMsINC Database Search


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MMsINC code: MMs00144289

Type: Neutral
Formula: C₂₀H₁₈FN₅O₂

SMILES:

Fc1ccc(cc1)Cn1c2c(nc1NCc1ccccc1)N(C)C(=O)NC2=O

InChI:

InChI=1/C20H18FN5O2/c1-25-17-16(18(27)24-20(25)28)26(12-14-7-9-15(21)10-8-14)19(23-17)22-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,22,23)(H,24,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.50426 kcal/mol

Physical Properties
Molecular Weight: 379.395 g/mol	logS: -5.0233	SlogP: 3.515	Reactive groups: 0

Topological Properties
Globularity: 0.108515	Sterimol/B1: 2.17206	Sterimol/B2: 2.55125	Sterimol/B3: 5.09378
Sterimol/B4: 10.7261	Sterimol/L: 15.8494

Surface and Volume Properties
Accessible surface: 619.245	Positive charged surface: 381.663	Negative charged surface: 237.581	Volume: 345.25
Hydrophobic surface: 470.71	Hydrophilic surface: 148.535

Pharmacophoric Properties
Hydrogen bond donors: 2	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.