MMsINC Database Search


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MMsINC code: MMs02090794

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(C)c1cc(NC(=O)C(=O)c2[nH]c(C)c(C(OCC)=O)c2-c2ccc(cc2)C)ccc1

InChI:

InChI=1/C24H24N2O5/c1-5-31-24(29)19-15(3)25-21(20(19)16-11-9-14(2)10-12-16)22(27)23(28)26-17-7-6-8-18(13-17)30-4/h6-13,25H,5H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.071 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -6.25537	SlogP: 4.30524	Reactive groups: 0

Topological Properties
Globularity: 0.0454238	Sterimol/B1: 2.08646	Sterimol/B2: 3.23319	Sterimol/B3: 5.04761
Sterimol/B4: 9.62572	Sterimol/L: 19.2623

Surface and Volume Properties
Accessible surface: 738.818	Positive charged surface: 476.697	Negative charged surface: 262.121	Volume: 402.375
Hydrophobic surface: 592.909	Hydrophilic surface: 145.909

Pharmacophoric Properties
Hydrogen bond donors: 2	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.