MMsINC Database Search


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MMsINC code: MMs00754558

Type: Neutral
Formula: C₁₉H₂₃FN₂O

SMILES:

Fc1ccccc1N1CCN(CC1)Cc1ccccc1OCC

InChI:

InChI=1/C19H23FN2O/c1-2-23-19-10-6-3-7-16(19)15-21-11-13-22(14-12-21)18-9-5-4-8-17(18)20/h3-10H,2,11-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.745 kcal/mol

Physical Properties
Molecular Weight: 314.404 g/mol	logS: -3.79949	SlogP: 3.813	Reactive groups: 0

Topological Properties
Globularity: 0.124342	Sterimol/B1: 2.28646	Sterimol/B2: 3.76229	Sterimol/B3: 4.20865
Sterimol/B4: 8.70639	Sterimol/L: 15.1332

Surface and Volume Properties
Accessible surface: 576.744	Positive charged surface: 394.116	Negative charged surface: 182.628	Volume: 317.75
Hydrophobic surface: 537.431	Hydrophilic surface: 39.313

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00754559
CHEMBRIDGE-ZINC03684195