MMsINC Database Search


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MMsINC code: MMs03346008

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(Cc1ccccc1)c1cc(ccc1OC)\C=N\NC(=O)c1ccc(cc1C)C

InChI:

InChI=1/C24H24N2O3/c1-17-9-11-21(18(2)13-17)24(27)26-25-15-20-10-12-22(28-3)23(14-20)29-16-19-7-5-4-6-8-19/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)=142.271 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.35465	SlogP: 4.92134	Reactive groups: 0

Topological Properties
Globularity: 0.0177106	Sterimol/B1: 2.4346	Sterimol/B2: 3.56514	Sterimol/B3: 3.69443
Sterimol/B4: 8.80143	Sterimol/L: 22.0278

Surface and Volume Properties
Accessible surface: 729.692	Positive charged surface: 465.353	Negative charged surface: 264.339	Volume: 390.25
Hydrophobic surface: 649.354	Hydrophilic surface: 80.338

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.