MMsINC Database Search


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MMsINC code: MMs03298107

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)\C=N\NC(=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C24H24N2O5/c1-28-20-12-10-19(14-23(20)30-3)24(27)26-25-15-18-9-11-21(22(13-18)29-2)31-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,26,27)/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.15 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -5.50757	SlogP: 4.3217	Reactive groups: 0

Topological Properties
Globularity: 0.0138287	Sterimol/B1: 3.61491	Sterimol/B2: 3.62137	Sterimol/B3: 4.73209
Sterimol/B4: 7.47979	Sterimol/L: 24.3901

Surface and Volume Properties
Accessible surface: 771.758	Positive charged surface: 535.964	Negative charged surface: 235.794	Volume: 408.875
Hydrophobic surface: 660.284	Hydrophilic surface: 111.474

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.