MMsINC Database Search


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MMsINC code: MMs00574600

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)CC)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.913 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.33486	SlogP: 4.31007	Reactive groups: 0

Topological Properties
Globularity: 0.0290371	Sterimol/B1: 2.23535	Sterimol/B2: 2.48432	Sterimol/B3: 4.41336
Sterimol/B4: 10.293	Sterimol/L: 20.8781

Surface and Volume Properties
Accessible surface: 723.839	Positive charged surface: 437.695	Negative charged surface: 286.145	Volume: 387.25
Hydrophobic surface: 634.17	Hydrophilic surface: 89.669

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.