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MMsINC code: MMs00256861

Type: Neutral
Formula: C₂₃H₂₄N₂O₅

SMILES:

O=C1N(CCCCCC(=O)Nc2ccccc2C(OCC)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C23H24N2O5/c1-2-30-23(29)18-12-7-8-13-19(18)24-20(26)14-4-3-9-15-25-21(27)16-10-5-6-11-17(16)22(25)28/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6517 kcal/mol

Physical Properties
Molecular Weight: 408.454 g/mol	logS: -5.12733	SlogP: 3.6584	Reactive groups: 0

Topological Properties
Globularity: 0.0307966	Sterimol/B1: 2.54627	Sterimol/B2: 3.37784	Sterimol/B3: 4.52577
Sterimol/B4: 8.81953	Sterimol/L: 22.8308

Surface and Volume Properties
Accessible surface: 735.424	Positive charged surface: 472.341	Negative charged surface: 263.082	Volume: 389.75
Hydrophobic surface: 574.964	Hydrophilic surface: 160.46

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.