MMsINC Database Search


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MMsINC code: MMs01451539

Type: Neutral
Formula: C₂₃H₂₀FNO₂

SMILES:

Fc1ccc(cc1)COc1ccccc1C(=O)N1CCCc2c1cccc2

InChI:

InChI=1/C23H20FNO2/c24-19-13-11-17(12-14-19)16-27-22-10-4-2-8-20(22)23(26)25-15-5-7-18-6-1-3-9-21(18)25/h1-4,6,8-14H,5,7,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.912 kcal/mol

Physical Properties
Molecular Weight: 361.416 g/mol	logS: -5.74778	SlogP: 5.26407	Reactive groups: 0

Topological Properties
Globularity: 0.136798	Sterimol/B1: 2.41818	Sterimol/B2: 3.03924	Sterimol/B3: 5.0475
Sterimol/B4: 10.0574	Sterimol/L: 14.0363

Surface and Volume Properties
Accessible surface: 624.699	Positive charged surface: 364.519	Negative charged surface: 260.18	Volume: 346.875
Hydrophobic surface: 603.455	Hydrophilic surface: 21.244

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.