MMsINC Database Search


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MMsINC code: MMs01889128

Type: Neutral
Formula: C₂₄H₃₃N₃O₂

SMILES:

O(C)c1ccccc1N1CCN(CC1)C1CCN(CC1)Cc1cc(OC)ccc1

InChI:

InChI=1/C24H33N3O2/c1-28-22-7-5-6-20(18-22)19-25-12-10-21(11-13-25)26-14-16-27(17-15-26)23-8-3-4-9-24(23)29-2/h3-9,18,21H,10-17,19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.867 kcal/mol

Physical Properties
Molecular Weight: 395.547 g/mol	logS: -3.67795	SlogP: 3.7568	Reactive groups: 0

Topological Properties
Globularity: 0.0578545	Sterimol/B1: 2.61277	Sterimol/B2: 3.5339	Sterimol/B3: 4.86047
Sterimol/B4: 7.17751	Sterimol/L: 20.6244

Surface and Volume Properties
Accessible surface: 713.257	Positive charged surface: 570.558	Negative charged surface: 142.699	Volume: 408.75
Hydrophobic surface: 678.943	Hydrophilic surface: 34.314

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

MMs01889129
IBS-ZINC04703449