MMsINC Database Search


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MMsINC code: MMs01345082

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)C(c1ccccc1)c1ccccc1)CC(=O)N(CC)c1ccccc1

InChI:

InChI=1/C24H23NO3/c1-2-25(21-16-10-5-11-17-21)22(26)18-28-24(27)23(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17,23H,2,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.51 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.68819	SlogP: 4.4148	Reactive groups: 0

Topological Properties
Globularity: 0.100085	Sterimol/B1: 2.32239	Sterimol/B2: 2.48334	Sterimol/B3: 6.09025
Sterimol/B4: 8.39048	Sterimol/L: 17.903

Surface and Volume Properties
Accessible surface: 678.397	Positive charged surface: 390.553	Negative charged surface: 287.844	Volume: 377.5
Hydrophobic surface: 601.505	Hydrophilic surface: 76.892

Pharmacophoric Properties
Hydrogen bond donors: 0	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.