MMsINC Database Search


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MMsINC code: MMs00271279

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃

SMILES:

Fc1ccccc1CNc1cc(C(OC)=O)c(N2CCOCC2)cc1

InChI:

InChI=1/C19H21FN2O3/c1-24-19(23)16-12-15(21-13-14-4-2-3-5-17(14)20)6-7-18(16)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.495 kcal/mol

Physical Properties
Molecular Weight: 344.386 g/mol	logS: -3.84484	SlogP: 3.3274	Reactive groups: 0

Topological Properties
Globularity: 0.0672434	Sterimol/B1: 2.41885	Sterimol/B2: 3.33901	Sterimol/B3: 3.99411
Sterimol/B4: 8.4075	Sterimol/L: 17.1769

Surface and Volume Properties
Accessible surface: 609.241	Positive charged surface: 440.275	Negative charged surface: 168.965	Volume: 329.75
Hydrophobic surface: 543.573	Hydrophilic surface: 65.668

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

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Ions/Tautomers related molecules: no related molecules available.