MMsINC Database Search


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MMsINC code: MMs01175409

Type: Neutral
Formula: C₂₄H₁₉F₂N₃O

SMILES:

Fc1ccccc1NC(=O)c1n(nc(c1)-c1ccc(F)cc1)-c1cc(ccc1C)C

InChI:

InChI=1/C24H19F2N3O/c1-15-7-8-16(2)22(13-15)29-23(24(30)27-20-6-4-3-5-19(20)26)14-21(28-29)17-9-11-18(25)12-10-17/h3-14H,1-2H3,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.528 kcal/mol

Physical Properties
Molecular Weight: 403.432 g/mol	logS: -7.28123	SlogP: 5.68664	Reactive groups: 0

Topological Properties
Globularity: 0.0834606	Sterimol/B1: 2.17161	Sterimol/B2: 2.90763	Sterimol/B3: 6.44082
Sterimol/B4: 8.76615	Sterimol/L: 17.7558

Surface and Volume Properties
Accessible surface: 642.025	Positive charged surface: 338.122	Negative charged surface: 303.903	Volume: 372.75
Hydrophobic surface: 600.69	Hydrophilic surface: 41.335

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

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Ions/Tautomers related molecules: no related molecules available.