MMsINC Database Search


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MMsINC code: MMs00286508

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)CC

InChI:

InChI=1/C23H20N2O4/c1-2-29-23(28)18-10-14-20(15-11-18)25-22(27)17-8-12-19(13-9-17)24-21(26)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.228 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.0338	SlogP: 4.3679	Reactive groups: 0

Topological Properties
Globularity: 0.0135839	Sterimol/B1: 2.52757	Sterimol/B2: 2.6146	Sterimol/B3: 3.84434
Sterimol/B4: 4.96866	Sterimol/L: 25.128

Surface and Volume Properties
Accessible surface: 701.42	Positive charged surface: 401.423	Negative charged surface: 299.997	Volume: 372.625
Hydrophobic surface: 564.616	Hydrophilic surface: 136.804

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.