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MMsINC code: MMs01648418

Type: Neutral
Formula: C₂₃H₂₃NO₃

SMILES:

O(C)c1cc(cc(OC)c1C)C(=O)Nc1ccccc1Cc1ccccc1

InChI:

InChI=1/C23H23NO3/c1-16-21(26-2)14-19(15-22(16)27-3)23(25)24-20-12-8-7-11-18(20)13-17-9-5-4-6-10-17/h4-12,14-15H,13H2,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.508 kcal/mol

Physical Properties
Molecular Weight: 361.441 g/mol	logS: -5.41903	SlogP: 4.85529	Reactive groups: 0

Topological Properties
Globularity: 0.200434	Sterimol/B1: 3.99626	Sterimol/B2: 4.33494	Sterimol/B3: 5.55504
Sterimol/B4: 7.03013	Sterimol/L: 14.7334

Surface and Volume Properties
Accessible surface: 624.992	Positive charged surface: 423.672	Negative charged surface: 201.319	Volume: 365.625
Hydrophobic surface: 591.28	Hydrophilic surface: 33.712

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.