MMsINC Database Search


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MMsINC code: MMs00663462

Type: Neutral
Formula: C₂₃H₁₇FN₂O₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CC(=O)Nc1ccccc1)cccc2

InChI:

InChI=1/C23H17FN2O2/c24-20-12-6-4-11-18(20)23(28)19-14-26(21-13-7-5-10-17(19)21)15-22(27)25-16-8-2-1-3-9-16/h1-14H,15H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1358 kcal/mol

Physical Properties
Molecular Weight: 372.399 g/mol	logS: -5.93301	SlogP: 4.9165	Reactive groups: 0

Topological Properties
Globularity: 0.112861	Sterimol/B1: 2.66948	Sterimol/B2: 3.9381	Sterimol/B3: 5.0289
Sterimol/B4: 8.88181	Sterimol/L: 16.0547

Surface and Volume Properties
Accessible surface: 644.424	Positive charged surface: 335.045	Negative charged surface: 303.426	Volume: 351
Hydrophobic surface: 574.691	Hydrophilic surface: 69.733

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.