MMsINC Database Search


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MMsINC code: MMs01389439

Type: Neutral
Formula: C₁₉H₂₃FN₂O

SMILES:

Fc1ccccc1N1CCN(CC1)Cc1cc(C)c(cc1O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.096 kcal/mol

Physical Properties
Molecular Weight: 314.404 g/mol	logS: -4.00779	SlogP: 3.73674	Reactive groups: 0

Topological Properties
Globularity: 0.124136	Sterimol/B1: 2.32504	Sterimol/B2: 2.71698	Sterimol/B3: 5.61178
Sterimol/B4: 5.96843	Sterimol/L: 16.725

Surface and Volume Properties
Accessible surface: 574.333	Positive charged surface: 382.045	Negative charged surface: 192.288	Volume: 314.75
Hydrophobic surface: 521.674	Hydrophilic surface: 52.659

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

MMs01389440
ENAMINE-ZINC03350778