MMsINC Database Search


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MMsINC code: MMs00643796

Type: Neutral
Formula: C₂₃H₂₃FN₂O

SMILES:

Fc1ccccc1N1CCN(CC1)Cc1cc(Oc2ccccc2)ccc1

InChI:

InChI=1/C23H23FN2O/c24-22-11-4-5-12-23(22)26-15-13-25(14-16-26)18-19-7-6-10-21(17-19)27-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.271 kcal/mol

Physical Properties
Molecular Weight: 362.448 g/mol	logS: -5.20461	SlogP: 5.2066	Reactive groups: 0

Topological Properties
Globularity: 0.077435	Sterimol/B1: 3.17784	Sterimol/B2: 3.38542	Sterimol/B3: 4.99078
Sterimol/B4: 6.42914	Sterimol/L: 19.2147

Surface and Volume Properties
Accessible surface: 648.28	Positive charged surface: 410.114	Negative charged surface: 238.166	Volume: 360.625
Hydrophobic surface: 631.638	Hydrophilic surface: 16.642

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs00643797
CHEMBRIDGE-ZINC00755658