MMsINC Database Search


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MMsINC code: MMs01714826

Type: Neutral
Formula: C₂₂H₂₀FNO₂

SMILES:

Fc1ccc(cc1)CN(C(=O)c1cc(OCc2ccccc2)ccc1)C

InChI:

InChI=1/C22H20FNO2/c1-24(15-17-10-12-20(23)13-11-17)22(25)19-8-5-9-21(14-19)26-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8699 kcal/mol

Physical Properties
Molecular Weight: 349.405 g/mol	logS: -5.30618	SlogP: 5.2097	Reactive groups: 0

Topological Properties
Globularity: 0.0605395	Sterimol/B1: 2.89016	Sterimol/B2: 3.61321	Sterimol/B3: 4.51264
Sterimol/B4: 7.65971	Sterimol/L: 17.4903

Surface and Volume Properties
Accessible surface: 625.358	Positive charged surface: 361.628	Negative charged surface: 263.73	Volume: 342.5
Hydrophobic surface: 583.624	Hydrophilic surface: 41.734

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.