MMsINC Database Search


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MMsINC code: MMs03264508

Type: Neutral
Formula: C₂₃H₁₈FNO₂

SMILES:

Fc1ccc(cc1)C(c1ccccc1)c1c2c(n(c1)CC(O)=O)cccc2

InChI:

InChI=1/C23H18FNO2/c24-18-12-10-17(11-13-18)23(16-6-2-1-3-7-16)20-14-25(15-22(26)27)21-9-5-4-8-19(20)21/h1-14,23H,15H2,(H,26,27)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.267 kcal/mol

Physical Properties
Molecular Weight: 359.4 g/mol	logS: -5.305	SlogP: 5.3116	Reactive groups: 0

Topological Properties
Globularity: 0.426756	Sterimol/B1: 2.71381	Sterimol/B2: 2.93311	Sterimol/B3: 7.46341
Sterimol/B4: 8.32083	Sterimol/L: 12.0491

Surface and Volume Properties
Accessible surface: 611.791	Positive charged surface: 315.207	Negative charged surface: 291.443	Volume: 342.375
Hydrophobic surface: 520.212	Hydrophilic surface: 91.579

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03264509
PUBCHEM-ZINC05421850