MMsINC Database Search


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MMsINC code: MMs01202321

Type: Neutral
Formula: C₂₀H₁₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1-c1oc2c(n1)cccc2

InChI:

InChI=1/C20H13FN2O2/c21-15-9-3-1-7-13(15)19(24)22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)25-20/h1-12H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6538 kcal/mol

Physical Properties
Molecular Weight: 332.334 g/mol	logS: -6.96552	SlogP: 4.8862	Reactive groups: 0

Topological Properties
Globularity: 0.0221951	Sterimol/B1: 2.50318	Sterimol/B2: 2.61894	Sterimol/B3: 2.71589
Sterimol/B4: 10.5361	Sterimol/L: 14.4079

Surface and Volume Properties
Accessible surface: 551.65	Positive charged surface: 288.553	Negative charged surface: 263.097	Volume: 304.25
Hydrophobic surface: 489.798	Hydrophilic surface: 61.852

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.