MMsINC Database Search


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MMsINC code: MMs00785920

Type: Neutral
Formula: C₂₃H₁₈FNO₂

SMILES:

Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)COc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4696 kcal/mol

Physical Properties
Molecular Weight: 359.4 g/mol	logS: -5.7813	SlogP: 5.3568	Reactive groups: 0

Topological Properties
Globularity: 0.0518929	Sterimol/B1: 3.71733	Sterimol/B2: 3.89591	Sterimol/B3: 4.62755
Sterimol/B4: 7.77156	Sterimol/L: 17.0514

Surface and Volume Properties
Accessible surface: 629.868	Positive charged surface: 322.658	Negative charged surface: 301.1	Volume: 348.625
Hydrophobic surface: 570.775	Hydrophilic surface: 59.093

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.