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MMsINC code: MMs00915638

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(c1ccc(NC(=O)Cc2c3c(n(C)c2C(O)=O)cccc3)cc1)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-26-21-10-6-5-9-19(21)20(23(26)24(28)29)15-22(27)25-16-11-13-18(14-12-16)30-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,27)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.786 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.50528	SlogP: 5.20917	Reactive groups: 0

Topological Properties
Globularity: 0.11562	Sterimol/B1: 2.24259	Sterimol/B2: 5.11102	Sterimol/B3: 5.64224
Sterimol/B4: 6.50563	Sterimol/L: 17.858

Surface and Volume Properties
Accessible surface: 679.991	Positive charged surface: 408.952	Negative charged surface: 267.85	Volume: 378.875
Hydrophobic surface: 566.653	Hydrophilic surface: 113.338

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00915639
CHEMDIV-ZINC03660267