MMsINC Database Search


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MMsINC code: MMs00520974

Type: Neutral
Formula: C₂₂H₂₀FNO₂

SMILES:

Fc1ccc(cc1)-c1oc(cc1)C(=O)N1CCC(CC1)c1ccccc1

InChI:

InChI=1/C22H20FNO2/c23-19-8-6-18(7-9-19)20-10-11-21(26-20)22(25)24-14-12-17(13-15-24)16-4-2-1-3-5-16/h1-11,17H,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2348 kcal/mol

Physical Properties
Molecular Weight: 349.405 g/mol	logS: -6.12306	SlogP: 5.1055	Reactive groups: 0

Topological Properties
Globularity: 0.0720663	Sterimol/B1: 3.30434	Sterimol/B2: 3.32016	Sterimol/B3: 4.85198
Sterimol/B4: 7.56648	Sterimol/L: 17.1773

Surface and Volume Properties
Accessible surface: 609.098	Positive charged surface: 350.255	Negative charged surface: 258.843	Volume: 336.625
Hydrophobic surface: 572.972	Hydrophilic surface: 36.126

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.