MMsINC Database Search


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MMsINC code: MMs01877032

Type: Neutral
Formula: C₂₄H₂₀N₂O₅

SMILES:

O(C)c1ccccc1C1N(C(=O)C(=O)C1C(=O)c1cc(OC)ccc1)c1ncccc1

InChI:

InChI=1/C24H20N2O5/c1-30-16-9-7-8-15(14-16)22(27)20-21(17-10-3-4-11-18(17)31-2)26(24(29)23(20)28)19-12-5-6-13-25-19/h3-14,20-21H,1-2H3/t20-,21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.341 kcal/mol

Physical Properties
Molecular Weight: 416.433 g/mol	logS: -4.73868	SlogP: 3.3504	Reactive groups: 0

Topological Properties
Globularity: 0.125716	Sterimol/B1: 3.4447	Sterimol/B2: 4.81924	Sterimol/B3: 5.32159
Sterimol/B4: 6.17986	Sterimol/L: 17.2922

Surface and Volume Properties
Accessible surface: 615.338	Positive charged surface: 403.802	Negative charged surface: 211.535	Volume: 382.125
Hydrophobic surface: 495.921	Hydrophilic surface: 119.417

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.