MMsINC Database Search


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MMsINC code: MMs00396029

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O(C)c1ccccc1CCNCc1cc2c3c(n(c2cc1)CC)cccc3

InChI:

InChI=1/C24H26N2O/c1-3-26-22-10-6-5-9-20(22)21-16-18(12-13-23(21)26)17-25-15-14-19-8-4-7-11-24(19)27-2/h4-13,16,25H,3,14-15,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9952 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -5.36293	SlogP: 5.68807	Reactive groups: 0

Topological Properties
Globularity: 0.0295211	Sterimol/B1: 2.10928	Sterimol/B2: 2.58501	Sterimol/B3: 4.91013
Sterimol/B4: 8.24649	Sterimol/L: 19.4022

Surface and Volume Properties
Accessible surface: 678.137	Positive charged surface: 448.399	Negative charged surface: 219.866	Volume: 380
Hydrophobic surface: 631.918	Hydrophilic surface: 46.219

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs00396030
ASINEX-ZINC04891691