MMsINC Database Search


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MMsINC code: MMs01978063

Type: Neutral
Formula: C₁₃H₇Cl₂FN₂O₃

SMILES:

Clc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-]

InChI:

InChI=1/C13H7Cl2FN2O3/c14-7-1-3-11(10(15)5-7)17-13(19)9-6-8(16)2-4-12(9)18(20)21/h1-6H,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3862 kcal/mol

Physical Properties
Molecular Weight: 329.114 g/mol	logS: -5.90866	SlogP: 4.293	Reactive groups: 0

Topological Properties
Globularity: 0.102033	Sterimol/B1: 3.79808	Sterimol/B2: 3.79836	Sterimol/B3: 4.90165
Sterimol/B4: 5.61089	Sterimol/L: 15.4279

Surface and Volume Properties
Accessible surface: 500.558	Positive charged surface: 158.194	Negative charged surface: 342.365	Volume: 251.375
Hydrophobic surface: 408.799	Hydrophilic surface: 91.759

Pharmacophoric Properties
Hydrogen bond donors: 1	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.