MMsINC Database Search


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MMsINC code: MMs00405831

Type: Neutral
Formula: C₁₉H₁₉FN₄O₂

SMILES:

Fc1ccccc1C(=O)Nc1cc2nc([nH]c2cc1)CN1CCOCC1

InChI:

InChI=1/C19H19FN4O2/c20-15-4-2-1-3-14(15)19(25)21-13-5-6-16-17(11-13)23-18(22-16)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,21,25)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8737 kcal/mol

Physical Properties
Molecular Weight: 354.385 g/mol	logS: -4.0643	SlogP: 3.0529	Reactive groups: 0

Topological Properties
Globularity: 0.048255	Sterimol/B1: 2.6474	Sterimol/B2: 4.04998	Sterimol/B3: 4.73409
Sterimol/B4: 5.85968	Sterimol/L: 19.4825

Surface and Volume Properties
Accessible surface: 606.345	Positive charged surface: 410.926	Negative charged surface: 195.419	Volume: 326.375
Hydrophobic surface: 511.725	Hydrophilic surface: 94.62

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00405832
ASINEX-ZINC04937151