MMsINC Database Search


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MMsINC code: MMs01253550

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)CNC(=O)CNC(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-29-21-13-8-17(14-22(21)30-2)15-25-23(27)16-26-24(28)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.318 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.99862	SlogP: 3.6834	Reactive groups: 0

Topological Properties
Globularity: 0.0374973	Sterimol/B1: 2.38468	Sterimol/B2: 3.23815	Sterimol/B3: 4.54197
Sterimol/B4: 6.51913	Sterimol/L: 24.6466

Surface and Volume Properties
Accessible surface: 747.048	Positive charged surface: 475.443	Negative charged surface: 260.944	Volume: 395.75
Hydrophobic surface: 624.73	Hydrophilic surface: 122.318

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.