MMsINC Database Search


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MMsINC code: MMs01433807

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)c1ccc(cc1C)C)CC(=O)NC(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.466 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -6.42282	SlogP: 4.46154	Reactive groups: 0

Topological Properties
Globularity: 0.0841879	Sterimol/B1: 3.17797	Sterimol/B2: 4.87546	Sterimol/B3: 5.7926
Sterimol/B4: 6.02212	Sterimol/L: 19.0422

Surface and Volume Properties
Accessible surface: 680.883	Positive charged surface: 399.476	Negative charged surface: 281.407	Volume: 376.5
Hydrophobic surface: 619.115	Hydrophilic surface: 61.768

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.