MMsINC Database Search


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MMsINC code: MMs03011871

Type: Neutral
Formula: C₂₄H₁₈FNO₃

SMILES:

Fc1cc(ccc1)C(OCC(=O)c1c2c(n(C)c1-c1ccccc1)cccc2)=O

InChI:

InChI=1/C24H18FNO3/c1-26-20-13-6-5-12-19(20)22(23(26)16-8-3-2-4-9-16)21(27)15-29-24(28)17-10-7-11-18(25)14-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.452 kcal/mol

Physical Properties
Molecular Weight: 387.41 g/mol	logS: -6.73993	SlogP: 5.3833	Reactive groups: 0

Topological Properties
Globularity: 0.0190459	Sterimol/B1: 2.9334	Sterimol/B2: 3.02391	Sterimol/B3: 6.66479
Sterimol/B4: 7.1592	Sterimol/L: 16.8668

Surface and Volume Properties
Accessible surface: 648.153	Positive charged surface: 348.78	Negative charged surface: 294.089	Volume: 363.625
Hydrophobic surface: 586.478	Hydrophilic surface: 61.675

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.