MMsINC Database Search


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MMsINC code: MMs00672662

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(C)c1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1ccc(OCC)cc1

InChI:

InChI=1/C24H24N2O5/c1-4-31-18-12-10-17(11-13-18)24(28)26-20-15-21(29-2)19(14-22(20)30-3)25-23(27)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.98 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -5.80321	SlogP: 4.6071	Reactive groups: 0

Topological Properties
Globularity: 0.0172249	Sterimol/B1: 2.93272	Sterimol/B2: 3.06803	Sterimol/B3: 5.10181
Sterimol/B4: 6.89113	Sterimol/L: 23.4424

Surface and Volume Properties
Accessible surface: 738.288	Positive charged surface: 499.542	Negative charged surface: 238.746	Volume: 404.25
Hydrophobic surface: 632.843	Hydrophilic surface: 105.445

Pharmacophoric Properties
Hydrogen bond donors: 2	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.