MMsINC Database Search


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MMsINC code: MMs00806426

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccc(cc1)C)c1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-18-11-13-20(14-12-18)26-23(27)17-29-22-10-6-5-9-21(22)24(28)25-16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.681 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.88111	SlogP: 3.98499	Reactive groups: 0

Topological Properties
Globularity: 0.029521	Sterimol/B1: 2.72385	Sterimol/B2: 3.43766	Sterimol/B3: 3.87101
Sterimol/B4: 11.7001	Sterimol/L: 18.482

Surface and Volume Properties
Accessible surface: 722.26	Positive charged surface: 440.513	Negative charged surface: 281.747	Volume: 388.25
Hydrophobic surface: 642.179	Hydrophilic surface: 80.081

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.