MMsINC Database Search


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MMsINC code: MMs00334879

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂

SMILES:

Fc1cccc(NC(=O)C(=O)c2c3c(n(c2)C)cccc3)c1C

InChI:

InChI=1/C18H15FN2O2/c1-11-14(19)7-5-8-15(11)20-18(23)17(22)13-10-21(2)16-9-4-3-6-12(13)16/h3-10H,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8581 kcal/mol

Physical Properties
Molecular Weight: 310.328 g/mol	logS: -4.32558	SlogP: 3.80642	Reactive groups: 0

Topological Properties
Globularity: 0.0188872	Sterimol/B1: 2.30422	Sterimol/B2: 2.61045	Sterimol/B3: 3.46682
Sterimol/B4: 7.01825	Sterimol/L: 16.4398

Surface and Volume Properties
Accessible surface: 542.704	Positive charged surface: 301.809	Negative charged surface: 235.302	Volume: 290
Hydrophobic surface: 469.441	Hydrophilic surface: 73.263

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.