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CHEMDIV-ZINC05074097

MMsINC code: MMs00988284

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

OC(=O)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.675 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -5.32621	SlogP: 3.36457	Reactive groups: 0

Topological Properties
Globularity: 0.169401	Sterimol/B1: 2.48376	Sterimol/B2: 4.65894	Sterimol/B3: 7.05177
Sterimol/B4: 7.96354	Sterimol/L: 16.0109

Surface and Volume Properties
Accessible surface: 661.969	Positive charged surface: 359.658	Negative charged surface: 302.311	Volume: 368.625
Hydrophobic surface: 526.564	Hydrophilic surface: 135.405

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00988285
CHEMDIV-ZINC05074097