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MMsINC code: MMs01348093

Type: Neutral
Formula: C₁₄H₇Cl₂N₂O₃-

SMILES:

Clc1cc(Nc2oc3c(n2)cc(Cl)cc3)c(cc1)C(=O)[O-]

InChI:

InChI=1/C14H8Cl2N2O3/c15-7-1-3-9(13(19)20)10(5-7)17-14-18-11-6-8(16)2-4-12(11)21-14/h1-6H,(H,17,18)(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.4306 kcal/mol

Physical Properties
Molecular Weight: 322.127 g/mol	logS: -5.93538	SlogP: 3.2417	Reactive groups: 0

Topological Properties
Globularity: 1.93394e-08	Sterimol/B1: 2.09703	Sterimol/B2: 2.0986	Sterimol/B3: 4.3716
Sterimol/B4: 6.1396	Sterimol/L: 15.5226

Surface and Volume Properties
Accessible surface: 510.372	Positive charged surface: 182.063	Negative charged surface: 328.309	Volume: 259.5
Hydrophobic surface: 379.302	Hydrophilic surface: 131.07

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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

MMs01348094
ENAMINE-ZINC03281375