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MMsINC code: MMs03192929

Type: Neutral
Formula: C₂₃H₁₇FN₂O₂

SMILES:

Fc1cc(ccc1)C(NC(=O)c1ccccc1)c1ccc2c(nccc2)c1O

InChI:

InChI=1/C23H17FN2O2/c24-18-10-4-8-17(14-18)20(26-23(28)16-6-2-1-3-7-16)19-12-11-15-9-5-13-25-21(15)22(19)27/h1-14,20,27H,(H,26,28)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.27 kcal/mol

Physical Properties
Molecular Weight: 372.399 g/mol	logS: -5.58838	SlogP: 4.6944	Reactive groups: 0

Topological Properties
Globularity: 0.133918	Sterimol/B1: 2.49741	Sterimol/B2: 3.9404	Sterimol/B3: 4.69496
Sterimol/B4: 8.90022	Sterimol/L: 16.4371

Surface and Volume Properties
Accessible surface: 619.444	Positive charged surface: 325.919	Negative charged surface: 288.349	Volume: 349.625
Hydrophobic surface: 541.426	Hydrophilic surface: 78.018

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.