MMsINC Database Search


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MMsINC code: MMs01395022

Type: Neutral
Formula: C₁₉H₁₇FN₄O₃

SMILES:

Fc1ccc(NC(=O)CN(C(=O)COc2ncnc3c2cccc3)C)cc1

InChI:

InChI=1/C19H17FN4O3/c1-24(10-17(25)23-14-8-6-13(20)7-9-14)18(26)11-27-19-15-4-2-3-5-16(15)21-12-22-19/h2-9,12H,10-11H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.829 kcal/mol

Physical Properties
Molecular Weight: 368.368 g/mol	logS: -4.85405	SlogP: 2.2448	Reactive groups: 0

Topological Properties
Globularity: 0.0583947	Sterimol/B1: 2.37675	Sterimol/B2: 3.61305	Sterimol/B3: 4.14255
Sterimol/B4: 7.63585	Sterimol/L: 19.2244

Surface and Volume Properties
Accessible surface: 636.066	Positive charged surface: 399.852	Negative charged surface: 230.622	Volume: 332.875
Hydrophobic surface: 490.714	Hydrophilic surface: 145.352

Pharmacophoric Properties
Hydrogen bond donors: 1	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.