MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00112930

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C15H13ClN2O3/c1-9-4-3-5-14(10(9)2)17-15(19)12-7-6-11(18(20)21)8-13(12)16/h3-8H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.792 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -5.51378	SlogP: 4.11734	Reactive groups: 0

Topological Properties
Globularity: 0.0164894	Sterimol/B1: 2.72012	Sterimol/B2: 2.75816	Sterimol/B3: 2.90813
Sterimol/B4: 6.08384	Sterimol/L: 16.2862

Surface and Volume Properties
Accessible surface: 504.795	Positive charged surface: 219.816	Negative charged surface: 284.978	Volume: 266.5
Hydrophobic surface: 402.312	Hydrophilic surface: 102.483

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.