MMsINC Database Search


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MMsINC code: MMs01208418

Type: Neutral
Formula: C₂₃H₁₉FN₄O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(-n2nc(OC)nc2-c2ccc(cc2)C)ccc1

InChI:

InChI=1/C23H19FN4O2/c1-15-6-8-16(9-7-15)21-26-23(30-2)27-28(21)20-5-3-4-19(14-20)25-22(29)17-10-12-18(24)13-11-17/h3-14H,1-2H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.849 kcal/mol

Physical Properties
Molecular Weight: 402.429 g/mol	logS: -7.77792	SlogP: 4.64272	Reactive groups: 0

Topological Properties
Globularity: 0.084025	Sterimol/B1: 2.07202	Sterimol/B2: 2.91029	Sterimol/B3: 5.59628
Sterimol/B4: 11.4054	Sterimol/L: 18.2786

Surface and Volume Properties
Accessible surface: 680.852	Positive charged surface: 395.803	Negative charged surface: 285.049	Volume: 374.75
Hydrophobic surface: 593.263	Hydrophilic surface: 87.589

Pharmacophoric Properties
Hydrogen bond donors: 1	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.