MMsINC Database Search


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MMsINC code: MMs00617145

Type: Neutral
Formula: C₂₁H₁₅FN₂O₂

SMILES:

Fc1ccccc1-c1oc2c(n1)cc(NC(=O)Cc1ccccc1)cc2

InChI:

InChI=1/C21H15FN2O2/c22-17-9-5-4-8-16(17)21-24-18-13-15(10-11-19(18)26-21)23-20(25)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2894 kcal/mol

Physical Properties
Molecular Weight: 346.361 g/mol	logS: -7.02699	SlogP: 4.81507	Reactive groups: 0

Topological Properties
Globularity: 0.0326488	Sterimol/B1: 2.54355	Sterimol/B2: 3.34451	Sterimol/B3: 4.13807
Sterimol/B4: 8.20092	Sterimol/L: 17.7166

Surface and Volume Properties
Accessible surface: 609.418	Positive charged surface: 347.983	Negative charged surface: 261.435	Volume: 321.125
Hydrophobic surface: 536.964	Hydrophilic surface: 72.454

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.