MMsINC Database Search


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MMsINC code: MMs00671694

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)\C=C\C(=O)N(Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C24H24N2O4/c1-28-20-15-19(16-21(29-2)24(20)30-3)12-13-23(27)26(22-11-7-8-14-25-22)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.362 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -4.72686	SlogP: 4.6204	Reactive groups: 0

Topological Properties
Globularity: 0.0824171	Sterimol/B1: 2.07586	Sterimol/B2: 4.16947	Sterimol/B3: 4.32814
Sterimol/B4: 9.88622	Sterimol/L: 17.2771

Surface and Volume Properties
Accessible surface: 694.436	Positive charged surface: 494.228	Negative charged surface: 200.208	Volume: 399.875
Hydrophobic surface: 639.168	Hydrophilic surface: 55.268

Pharmacophoric Properties
Hydrogen bond donors: 0	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.