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MMsINC code: MMs01053165

Type: Neutral
Formula: C₂₃H₃₀FN₃O₂

SMILES:

Fc1ccc(cc1)CN(C(=O)Nc1ccccc1OCC)C1CCN(CC1)CC

InChI:

InChI=1/C23H30FN3O2/c1-3-26-15-13-20(14-16-26)27(17-18-9-11-19(24)12-10-18)23(28)25-21-7-5-6-8-22(21)29-4-2/h5-12,20H,3-4,13-17H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9306 kcal/mol

Physical Properties
Molecular Weight: 399.51 g/mol	logS: -4.54015	SlogP: 5.0092	Reactive groups: 0

Topological Properties
Globularity: 0.152343	Sterimol/B1: 3.37577	Sterimol/B2: 3.62575	Sterimol/B3: 5.37064
Sterimol/B4: 9.07344	Sterimol/L: 17.4458

Surface and Volume Properties
Accessible surface: 693.694	Positive charged surface: 473.753	Negative charged surface: 219.941	Volume: 400.375
Hydrophobic surface: 624.677	Hydrophilic surface: 69.017

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01053166
CHEMDIV-ZINC06877677