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MMsINC code: MMs01789110

Type: Ionized
Formula: C₁₇H₁₃N₂O₄-

SMILES:

O=C1N(C(Cc2ccccc2)C(=O)[O-])C(=O)Nc2c1cccc2

InChI:

InChI=1/C17H14N2O4/c20-15-12-8-4-5-9-13(12)18-17(23)19(15)14(16(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,23)(H,21,22)/p-1/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4284 kcal/mol

Physical Properties
Molecular Weight: 309.301 g/mol	logS: -3.91757	SlogP: 1.03547	Reactive groups: 0

Topological Properties
Globularity: 0.26295	Sterimol/B1: 2.56872	Sterimol/B2: 3.55051	Sterimol/B3: 4.37949
Sterimol/B4: 8.82027	Sterimol/L: 11.9767

Surface and Volume Properties
Accessible surface: 506.853	Positive charged surface: 254.955	Negative charged surface: 251.898	Volume: 280.875
Hydrophobic surface: 361.384	Hydrophilic surface: 145.469

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs01789109
IBS-ZINC02117362