MMsINC Database Search


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MMsINC code: MMs02736036

Type: Neutral
Formula: C₂₃H₁₇FN₂O₂

SMILES:

Fc1cc(ccc1)C(Oc1n(nc(c1)-c1ccccc1)-c1ccc(cc1)C)=O

InChI:

InChI=1/C23H17FN2O2/c1-16-10-12-20(13-11-16)26-22(15-21(25-26)17-6-3-2-4-7-17)28-23(27)18-8-5-9-19(24)14-18/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.922 kcal/mol

Physical Properties
Molecular Weight: 372.399 g/mol	logS: -7.12819	SlogP: 5.20602	Reactive groups: 0

Topological Properties
Globularity: 0.0191029	Sterimol/B1: 2.18382	Sterimol/B2: 2.83049	Sterimol/B3: 2.85101
Sterimol/B4: 12.713	Sterimol/L: 16.5281

Surface and Volume Properties
Accessible surface: 650.686	Positive charged surface: 324.267	Negative charged surface: 326.419	Volume: 351.875
Hydrophobic surface: 607.523	Hydrophilic surface: 43.163

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.