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MMsINC code: MMs00582870

Type: Neutral
Formula: C₁₀H₄ClF₂NO₄

SMILES:

ClC=1C(=O)c2cc([N+](=O)[O-])ccc2OC=1C(F)F

InChI:

InChI=1/C10H4ClF2NO4/c11-7-8(15)5-3-4(14(16)17)1-2-6(5)18-9(7)10(12)13/h1-3,10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8623 kcal/mol

Physical Properties
Molecular Weight: 275.594 g/mol	logS: -4.92976	SlogP: 3.4142	Reactive groups: 1

Topological Properties
Globularity: 0.0144283	Sterimol/B1: 2.63778	Sterimol/B2: 2.63835	Sterimol/B3: 2.92432
Sterimol/B4: 5.87185	Sterimol/L: 12.6429

Surface and Volume Properties
Accessible surface: 407.526	Positive charged surface: 124.704	Negative charged surface: 282.822	Volume: 192
Hydrophobic surface: 214.633	Hydrophilic surface: 192.893

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.