MMsINC Database Search


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MMsINC code: MMs01662134

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C)cc1)CC(=O)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C23H26N2O4/c1-17(26)24-21-9-7-20(8-10-21)23(28)29-16-22(27)25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.634 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -4.81417	SlogP: 3.28307	Reactive groups: 0

Topological Properties
Globularity: 0.022693	Sterimol/B1: 2.71233	Sterimol/B2: 4.07519	Sterimol/B3: 4.25995
Sterimol/B4: 5.46977	Sterimol/L: 22.9275

Surface and Volume Properties
Accessible surface: 709.455	Positive charged surface: 452.826	Negative charged surface: 256.629	Volume: 386.875
Hydrophobic surface: 582.521	Hydrophilic surface: 126.934

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.