MMsINC Database Search


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MMsINC code: MMs00915021

Type: Neutral
Formula: C₂₃H₂₄FNO₂

SMILES:

Fc1ccccc1OCCn1cc(c2c1cccc2)C(=O)C1CCCCC1

InChI:

InChI=1/C23H24FNO2/c24-20-11-5-7-13-22(20)27-15-14-25-16-19(18-10-4-6-12-21(18)25)23(26)17-8-2-1-3-9-17/h4-7,10-13,16-17H,1-3,8-9,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8562 kcal/mol

Physical Properties
Molecular Weight: 365.448 g/mol	logS: -5.86792	SlogP: 5.8888	Reactive groups: 0

Topological Properties
Globularity: 0.0897162	Sterimol/B1: 2.45133	Sterimol/B2: 3.80812	Sterimol/B3: 4.34404
Sterimol/B4: 9.5604	Sterimol/L: 17.2013

Surface and Volume Properties
Accessible surface: 648.618	Positive charged surface: 393.472	Negative charged surface: 249.303	Volume: 364.125
Hydrophobic surface: 616.216	Hydrophilic surface: 32.402

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.