MMsINC Database Search


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MMsINC code: MMs01616171

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)CCC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H23NO2/c1-26-21-15-12-18(13-16-21)14-17-22(25)24-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,15-16,23H,14,17H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.442 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -5.06058	SlogP: 4.62907	Reactive groups: 0

Topological Properties
Globularity: 0.0718277	Sterimol/B1: 3.59217	Sterimol/B2: 4.11307	Sterimol/B3: 4.62554
Sterimol/B4: 7.01711	Sterimol/L: 17.9965

Surface and Volume Properties
Accessible surface: 658.761	Positive charged surface: 406.432	Negative charged surface: 252.328	Volume: 357.875
Hydrophobic surface: 616.593	Hydrophilic surface: 42.168

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.