MMsINC Database Search


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MMsINC code: MMs02733173

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C)c1ccc(N(C(C(=O)Nc2c(cccc2C)C)c2ccccc2)C=O)cc1

InChI:

InChI=1/C24H24N2O3/c1-17-8-7-9-18(2)22(17)25-24(28)23(19-10-5-4-6-11-19)26(16-27)20-12-14-21(29-3)15-13-20/h4-16,23H,1-3H3,(H,25,28)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.983 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.51291	SlogP: 4.75034	Reactive groups: 0

Topological Properties
Globularity: 0.0815487	Sterimol/B1: 2.85718	Sterimol/B2: 2.90817	Sterimol/B3: 5.25493
Sterimol/B4: 10.229	Sterimol/L: 17.3708

Surface and Volume Properties
Accessible surface: 650.709	Positive charged surface: 404.791	Negative charged surface: 245.919	Volume: 386.375
Hydrophobic surface: 580.712	Hydrophilic surface: 69.997

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.