MMsINC Database Search


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MMsINC code: MMs00794169

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.153 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -5.53747	SlogP: 4.14587	Reactive groups: 0

Topological Properties
Globularity: 0.0642201	Sterimol/B1: 2.19427	Sterimol/B2: 4.45295	Sterimol/B3: 4.54598
Sterimol/B4: 10.8561	Sterimol/L: 19.4525

Surface and Volume Properties
Accessible surface: 739.331	Positive charged surface: 527.479	Negative charged surface: 211.853	Volume: 401.75
Hydrophobic surface: 655.86	Hydrophilic surface: 83.471

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.