MMsINC Database Search


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MMsINC code: MMs00561371

Type: Neutral
Formula: C₂₃H₁₆FNO₂

SMILES:

Fc1ccccc1COC(=O)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C23H16FNO2/c24-20-12-6-4-10-17(20)15-27-23(26)19-14-22(16-8-2-1-3-9-16)25-21-13-7-5-11-18(19)21/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0005 kcal/mol

Physical Properties
Molecular Weight: 357.384 g/mol	logS: -6.81321	SlogP: 5.6643	Reactive groups: 0

Topological Properties
Globularity: 0.00339356	Sterimol/B1: 2.31412	Sterimol/B2: 2.47385	Sterimol/B3: 2.55307
Sterimol/B4: 11.6565	Sterimol/L: 15.7185

Surface and Volume Properties
Accessible surface: 621.22	Positive charged surface: 304.592	Negative charged surface: 305.556	Volume: 339.625
Hydrophobic surface: 567.252	Hydrophilic surface: 53.968

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.