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MMsINC code: MMs00690739

Type: Neutral
Formula: C₂₄H₂₇N₃O₂

SMILES:

O(Cc1ccccc1)c1cc(ccc1OC)CN1CCN(CC1)c1ncccc1

InChI:

InChI=1/C24H27N3O2/c1-28-22-11-10-21(17-23(22)29-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)24-9-5-6-12-25-24/h2-12,17H,13-16,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.889 kcal/mol

Physical Properties
Molecular Weight: 389.499 g/mol	logS: -4.0487	SlogP: 4.5242	Reactive groups: 0

Topological Properties
Globularity: 0.103587	Sterimol/B1: 2.12443	Sterimol/B2: 2.32951	Sterimol/B3: 6.61635
Sterimol/B4: 9.75761	Sterimol/L: 18.2391

Surface and Volume Properties
Accessible surface: 715.18	Positive charged surface: 514.481	Negative charged surface: 200.699	Volume: 395.125
Hydrophobic surface: 671.174	Hydrophilic surface: 44.006

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs00690740
CHEMBRIDGE-ZINC01226390