MMsINC Database Search


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MMsINC code: MMs01503958

Type: Neutral
Formula: C₁₉H₁₃ClN₂O₄

SMILES:

Clc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1

InChI:

InChI=1/C19H13ClN2O4/c20-15-11-10-13(12-17(15)22(24)25)19(23)21-16-8-4-5-9-18(16)26-14-6-2-1-3-7-14/h1-12H,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.293 kcal/mol

Physical Properties
Molecular Weight: 368.776 g/mol	logS: -6.6621	SlogP: 5.2928	Reactive groups: 0

Topological Properties
Globularity: 0.0462344	Sterimol/B1: 2.87952	Sterimol/B2: 3.42091	Sterimol/B3: 3.61239
Sterimol/B4: 8.13598	Sterimol/L: 17.6368

Surface and Volume Properties
Accessible surface: 599.599	Positive charged surface: 266.937	Negative charged surface: 332.662	Volume: 320.5
Hydrophobic surface: 491.798	Hydrophilic surface: 107.801

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.