MMsINC Database Search


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MMsINC code: MMs02619493

Type: Neutral
Formula: C₂₄H₂₈N₂O₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2c(NC1=O)cc(OC)cc2)C(C)(C)C

InChI:

InChI=1/C24H28N2O5/c1-24(2,3)26(23(28)16-8-10-20(30-5)21(12-16)31-6)14-17-11-15-7-9-18(29-4)13-19(15)25-22(17)27/h7-13H,14H2,1-6H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=310.176 kcal/mol

Physical Properties
Molecular Weight: 424.497 g/mol	logS: -5.19203	SlogP: 3.9888	Reactive groups: 0

Topological Properties
Globularity: 0.0604094	Sterimol/B1: 2.65338	Sterimol/B2: 3.02676	Sterimol/B3: 4.92068
Sterimol/B4: 9.26386	Sterimol/L: 20.0805

Surface and Volume Properties
Accessible surface: 665.321	Positive charged surface: 491.795	Negative charged surface: 173.527	Volume: 401.625
Hydrophobic surface: 523.23	Hydrophilic surface: 142.091

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.