MMsINC Database Search


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MMsINC code: MMs01496769

Type: Neutral
Formula: C₂₃H₂₄N₂O₅

SMILES:

O=C1N(CCCC)C(=O)c2c1cc(cc2)C(OCC(=O)NCCc1ccccc1)=O

InChI:

InChI=1/C23H24N2O5/c1-2-3-13-25-21(27)18-10-9-17(14-19(18)22(25)28)23(29)30-15-20(26)24-12-11-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5381 kcal/mol

Physical Properties
Molecular Weight: 408.454 g/mol	logS: -5.3626	SlogP: 2.59837	Reactive groups: 0

Topological Properties
Globularity: 0.0223768	Sterimol/B1: 2.19834	Sterimol/B2: 3.34621	Sterimol/B3: 4.93276
Sterimol/B4: 5.12392	Sterimol/L: 25.6303

Surface and Volume Properties
Accessible surface: 747.085	Positive charged surface: 465.31	Negative charged surface: 281.774	Volume: 391.75
Hydrophobic surface: 553.672	Hydrophilic surface: 193.413

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.