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MMsINC code: MMs00393022

Type: Neutral
Formula: C₂₁H₂₃FN₂O

SMILES:

Fc1cc(ccc1)C(=O)NC1CC2N(C(C1)CC2)Cc1ccccc1

InChI:

InChI=1/C21H23FN2O/c22-17-8-4-7-16(11-17)21(25)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20H,9-10,12-14H2,(H,23,25)/t18-,19+,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.865 kcal/mol

Physical Properties
Molecular Weight: 338.426 g/mol	logS: -4.59654	SlogP: 4.0175	Reactive groups: 0

Topological Properties
Globularity: 0.0930596	Sterimol/B1: 2.7325	Sterimol/B2: 3.53208	Sterimol/B3: 4.98024
Sterimol/B4: 5.53132	Sterimol/L: 17.4178

Surface and Volume Properties
Accessible surface: 575.475	Positive charged surface: 337.836	Negative charged surface: 237.639	Volume: 327.625
Hydrophobic surface: 537.975	Hydrophilic surface: 37.5

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00393023
ASINEX-ZINC04882226