MMsINC Database Search


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MMsINC code: MMs01418525

Type: Neutral
Formula: C₂₀H₂₆N₂O₂

SMILES:

O(C)c1ccc(cc1NCC(=O)Nc1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C20H26N2O2/c1-14-6-11-18(24-5)17(12-14)21-13-19(23)22-16-9-7-15(8-10-16)20(2,3)4/h6-12,21H,13H2,1-5H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.575 kcal/mol

Physical Properties
Molecular Weight: 326.44 g/mol	logS: -5.72165	SlogP: 4.35172	Reactive groups: 0

Topological Properties
Globularity: 0.023388	Sterimol/B1: 2.13683	Sterimol/B2: 3.30139	Sterimol/B3: 3.41827
Sterimol/B4: 8.68572	Sterimol/L: 18.7611

Surface and Volume Properties
Accessible surface: 634.521	Positive charged surface: 438.755	Negative charged surface: 195.766	Volume: 343.125
Hydrophobic surface: 517.271	Hydrophilic surface: 117.25

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.