MMsINC Database Search


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MMsINC code: MMs01684542

Type: Neutral
Formula: C₂₃H₂₃NO₃

SMILES:

O(C)c1ccccc1C(NC(=O)c1ccccc1COc1ccccc1)C

InChI:

InChI=1/C23H23NO3/c1-17(20-13-8-9-15-22(20)26-2)24-23(25)21-14-7-6-10-18(21)16-27-19-11-4-3-5-12-19/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)=101.858 kcal/mol

Physical Properties
Molecular Weight: 361.441 g/mol	logS: -5.49478	SlogP: 5.1271	Reactive groups: 0

Topological Properties
Globularity: 0.0396114	Sterimol/B1: 2.01607	Sterimol/B2: 5.23685	Sterimol/B3: 5.39031
Sterimol/B4: 7.39577	Sterimol/L: 18.2759

Surface and Volume Properties
Accessible surface: 658.46	Positive charged surface: 398.339	Negative charged surface: 260.121	Volume: 365.375
Hydrophobic surface: 617.342	Hydrophilic surface: 41.118

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.