MMsINC Database Search


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MMsINC code: MMs01419968

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C(=O)c1ccc(N(C)C)cc1)CC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-26(2)21-15-13-20(14-16-21)24(28)29-17-22(27)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23H,17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.482 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.40239	SlogP: 3.9107	Reactive groups: 0

Topological Properties
Globularity: 0.0627562	Sterimol/B1: 4.08299	Sterimol/B2: 4.54931	Sterimol/B3: 4.58578
Sterimol/B4: 6.38862	Sterimol/L: 20.3754

Surface and Volume Properties
Accessible surface: 712.086	Positive charged surface: 450.808	Negative charged surface: 261.278	Volume: 391.125
Hydrophobic surface: 637.466	Hydrophilic surface: 74.62

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.