MMsINC Database Search


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MMsINC code: MMs01393050

Type: Neutral
Formula: C₂₃H₂₃NO₃

SMILES:

O(CC(=O)NC(C)c1ccccc1OC)c1ccccc1-c1ccccc1

InChI:

InChI=1/C23H23NO3/c1-17(19-12-6-8-14-21(19)26-2)24-23(25)16-27-22-15-9-7-13-20(22)18-10-4-3-5-11-18/h3-15,17H,16H2,1-2H3,(H,24,25)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.652 kcal/mol

Physical Properties
Molecular Weight: 361.441 g/mol	logS: -6.1797	SlogP: 4.7139	Reactive groups: 0

Topological Properties
Globularity: 0.0544287	Sterimol/B1: 2.04564	Sterimol/B2: 5.5751	Sterimol/B3: 5.58604
Sterimol/B4: 6.54899	Sterimol/L: 16.7011

Surface and Volume Properties
Accessible surface: 666.388	Positive charged surface: 418.888	Negative charged surface: 242.417	Volume: 365.5
Hydrophobic surface: 612.495	Hydrophilic surface: 53.893

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.