MMsINC Database Search


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MMsINC code: MMs01282235

Type: Neutral
Formula: C₁₉H₂₁F₂NO₄

SMILES:

FC(F)Oc1ccc(NC(=O)CCCOc2ccccc2OCC)cc1

InChI:

InChI=1/C19H21F2NO4/c1-2-24-16-6-3-4-7-17(16)25-13-5-8-18(23)22-14-9-11-15(12-10-14)26-19(20)21/h3-4,6-7,9-12,19H,2,5,8,13H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0266 kcal/mol

Physical Properties
Molecular Weight: 365.376 g/mol	logS: -4.02722	SlogP: 4.9043	Reactive groups: 0

Topological Properties
Globularity: 0.0140228	Sterimol/B1: 2.08347	Sterimol/B2: 3.1593	Sterimol/B3: 3.17604
Sterimol/B4: 8.93053	Sterimol/L: 20.5044

Surface and Volume Properties
Accessible surface: 659.998	Positive charged surface: 412.895	Negative charged surface: 247.103	Volume: 335.625
Hydrophobic surface: 495.766	Hydrophilic surface: 164.232

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.