MMsINC Database Search


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MMsINC code: MMs01958761

Type: Neutral
Formula: C₂₄H₁₃FN₂O

SMILES:

Fc1ccc(cc1)-c1c2c3c(n4c2c(nc1)-c1c(cccc1)C4=O)cccc3

InChI:

InChI=1/C24H13FN2O/c25-15-11-9-14(10-12-15)19-13-26-22-16-5-1-2-6-17(16)24(28)27-20-8-4-3-7-18(20)21(19)23(22)27/h1-13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.067 kcal/mol

Physical Properties
Molecular Weight: 364.379 g/mol	logS: -7.78358	SlogP: 5.6645	Reactive groups: 0

Topological Properties
Globularity: 0.02566	Sterimol/B1: 2.80009	Sterimol/B2: 2.9937	Sterimol/B3: 3.10355
Sterimol/B4: 8.7953	Sterimol/L: 16.6307

Surface and Volume Properties
Accessible surface: 566.863	Positive charged surface: 277.394	Negative charged surface: 270.119	Volume: 334.625
Hydrophobic surface: 517.589	Hydrophilic surface: 49.274

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.