MMsINC Database Search


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MMsINC code: MMs00521995

Type: Neutral
Formula: C₁₉H₁₇FN₄O₂

SMILES:

Fc1cc(-n2nc(cc2NC(=O)NC(=O)c2ccccc2C)C)ccc1

InChI:

InChI=1/C19H17FN4O2/c1-12-6-3-4-9-16(12)18(25)22-19(26)21-17-10-13(2)23-24(17)15-8-5-7-14(20)11-15/h3-11H,1-2H3,(H2,21,22,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.939 kcal/mol

Physical Properties
Molecular Weight: 352.369 g/mol	logS: -5.13086	SlogP: 3.59014	Reactive groups: 0

Topological Properties
Globularity: 0.015516	Sterimol/B1: 2.61872	Sterimol/B2: 2.9664	Sterimol/B3: 4.27519
Sterimol/B4: 8.01889	Sterimol/L: 16.3205

Surface and Volume Properties
Accessible surface: 608.632	Positive charged surface: 322.67	Negative charged surface: 285.962	Volume: 323.375
Hydrophobic surface: 532.045	Hydrophilic surface: 76.587

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.