MMsINC Database Search


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MMsINC code: MMs02736034

Type: Neutral
Formula: C₂₃H₁₇FN₂O₂

SMILES:

Fc1cc(ccc1)C(Oc1n(nc(c1)-c1ccccc1)-c1cc(ccc1)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.914 kcal/mol

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

Topological Properties
Globularity: 0.0302846	Sterimol/B1: 2.40144	Sterimol/B2: 2.48824	Sterimol/B3: 4.22166
Sterimol/B4: 11.6788	Sterimol/L: 16.8756

Surface and Volume Properties
Accessible surface: 644.158	Positive charged surface: 318.897	Negative charged surface: 325.262	Volume: 354.625
Hydrophobic surface: 601.565	Hydrophilic surface: 42.593

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.