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CHEMDIV-ZINC05074099

MMsINC code: MMs00988287

Type: Ionized
Formula: C₂₃H₁₉N₂O₄-

SMILES:

O=C(NC(Cc1ccccc1)C(=O)[O-])c1ccccc1NC(=O)c1ccccc1

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)/p-1/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0472 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 387.415 g/mol	logS: -5.58666	SlogP: 2.02987	Reactive groups: 0

Topological Properties
Globularity: 0.250867	Sterimol/B1: 2.64197	Sterimol/B2: 3.00358	Sterimol/B3: 7.84802
Sterimol/B4: 9.95166	Sterimol/L: 14.3686

Surface and Volume Properties
Accessible surface: 640.858	Positive charged surface: 342.789	Negative charged surface: 298.069	Volume: 370.5
Hydrophobic surface: 514.36	Hydrophilic surface: 126.498

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs00988286
CHEMDIV-ZINC05074099