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MMsINC code: MMs01686492

Type: Neutral
Formula: C₂₂H₂₆FN₃O₂

SMILES:

Fc1cc(ccc1OC)CN1CCN(CC1)C(=O)CN1CCc2c1cccc2

InChI:

InChI=1/C22H26FN3O2/c1-28-21-7-6-17(14-19(21)23)15-24-10-12-25(13-11-24)22(27)16-26-9-8-18-4-2-3-5-20(18)26/h2-7,14H,8-13,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=179.57 kcal/mol

Physical Properties
Molecular Weight: 383.467 g/mol	logS: -3.72273	SlogP: 2.80757	Reactive groups: 0

Topological Properties
Globularity: 0.0741548	Sterimol/B1: 2.13509	Sterimol/B2: 3.33814	Sterimol/B3: 4.83506
Sterimol/B4: 8.878	Sterimol/L: 17.1261

Surface and Volume Properties
Accessible surface: 670.035	Positive charged surface: 483.72	Negative charged surface: 186.315	Volume: 372.75
Hydrophobic surface: 616.041	Hydrophilic surface: 53.994

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01686493
ENAMINE-ZINC06610724