MMsINC Database Search


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MMsINC code: MMs02797718

Type: Neutral
Formula: C₂₀H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cc(OC)ccc1

InChI:

InChI=1/C20H20FNO3/c1-25-18-4-2-3-16(13-18)20(24)22-11-9-15(10-12-22)19(23)14-5-7-17(21)8-6-14/h2-8,13,15H,9-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3042 kcal/mol

Physical Properties
Molecular Weight: 341.382 g/mol	logS: -4.17849	SlogP: 3.5694	Reactive groups: 0

Topological Properties
Globularity: 0.0707149	Sterimol/B1: 2.42319	Sterimol/B2: 3.49666	Sterimol/B3: 4.01769
Sterimol/B4: 8.09746	Sterimol/L: 16.3343

Surface and Volume Properties
Accessible surface: 584.49	Positive charged surface: 364.076	Negative charged surface: 220.414	Volume: 321.375
Hydrophobic surface: 514.454	Hydrophilic surface: 70.036

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.