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MMsINC code: MMs01177803

Type: Neutral
Formula: C₂₀H₂₅N₃O₃

SMILES:

O(C(C)(C)C)C(=O)NCC(=O)N(Cc1ccccc1)Cc1ncccc1

InChI:

InChI=1/C20H25N3O3/c1-20(2,3)26-19(25)22-13-18(24)23(14-16-9-5-4-6-10-16)15-17-11-7-8-12-21-17/h4-12H,13-15H2,1-3H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7417 kcal/mol

Physical Properties
Molecular Weight: 355.438 g/mol	logS: -3.31872	SlogP: 3.6679	Reactive groups: 0

Topological Properties
Globularity: 0.0632074	Sterimol/B1: 2.04895	Sterimol/B2: 5.01947	Sterimol/B3: 5.14272
Sterimol/B4: 8.74433	Sterimol/L: 16.2078

Surface and Volume Properties
Accessible surface: 647.12	Positive charged surface: 424.196	Negative charged surface: 222.924	Volume: 358.25
Hydrophobic surface: 504.225	Hydrophilic surface: 142.895

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.