MMsINC Database Search


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MMsINC code: MMs01598238

Type: Neutral
Formula: C₂₃H₁₈N₂O₅

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)CC(=O)NC(=O)c1ccccc1

InChI:

InChI=1/C23H18N2O5/c26-20(25-22(28)17-11-5-2-6-12-17)15-30-23(29)18-13-7-8-14-19(18)24-21(27)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,27)(H,25,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.3 kcal/mol

Physical Properties
Molecular Weight: 402.406 g/mol	logS: -6.06438	SlogP: 3.0523	Reactive groups: 0

Topological Properties
Globularity: 0.00703069	Sterimol/B1: 2.53703	Sterimol/B2: 2.64713	Sterimol/B3: 2.76236
Sterimol/B4: 11.1389	Sterimol/L: 20.1391

Surface and Volume Properties
Accessible surface: 685.633	Positive charged surface: 371.476	Negative charged surface: 314.157	Volume: 371.125
Hydrophobic surface: 556.859	Hydrophilic surface: 128.774

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.