MMsINC Database Search


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MMsINC code: MMs01146551

Type: Neutral
Formula: C₂₃H₃₄N₄O₄

SMILES:

O(CCCN(CC(=O)N(Cc1n(ccc1)C)CCOC)C(=O)NCc1ccccc1)C

InChI:

InChI=1/C23H34N4O4/c1-25-12-7-11-21(25)18-26(14-16-31-3)22(28)19-27(13-8-15-30-2)23(29)24-17-20-9-5-4-6-10-20/h4-7,9-12H,8,13-19H2,1-3H3,(H,24,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0008 kcal/mol

Physical Properties
Molecular Weight: 430.549 g/mol	logS: -2.07792	SlogP: 3.1404	Reactive groups: 0

Topological Properties
Globularity: 0.204818	Sterimol/B1: 2.45065	Sterimol/B2: 5.38973	Sterimol/B3: 7.84247
Sterimol/B4: 7.86898	Sterimol/L: 18.014

Surface and Volume Properties
Accessible surface: 773.987	Positive charged surface: 594.967	Negative charged surface: 179.02	Volume: 441.75
Hydrophobic surface: 694.648	Hydrophilic surface: 79.339

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