MMsINC Database Search


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MMsINC code: MMs00171720

Type: Neutral
Formula: C₁₉H₁₄FN₅O₂

SMILES:

Fc1ccc(NC(=O)c2cnc(nc2C)Nc2oc3c(n2)cccc3)cc1

InChI:

InChI=1/C19H14FN5O2/c1-11-14(17(26)23-13-8-6-12(20)7-9-13)10-21-18(22-11)25-19-24-15-4-2-3-5-16(15)27-19/h2-10H,1H3,(H,23,26)(H,21,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9627 kcal/mol

Physical Properties
Molecular Weight: 363.352 g/mol	logS: -6.31991	SlogP: 4.06122	Reactive groups: 0

Topological Properties
Globularity: 0.00690029	Sterimol/B1: 2.37344	Sterimol/B2: 2.38609	Sterimol/B3: 2.87921
Sterimol/B4: 8.53903	Sterimol/L: 19.6512

Surface and Volume Properties
Accessible surface: 612.013	Positive charged surface: 369.456	Negative charged surface: 242.556	Volume: 320.25
Hydrophobic surface: 487.023	Hydrophilic surface: 124.99

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.