MMsINC Database Search


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MMsINC code: MMs00068421

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₄

SMILES:

Clc1cc([N+](=O)[O-])c(cc1)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C15H13ClN2O4/c1-22-12-5-2-10(3-6-12)9-17-15(19)13-7-4-11(16)8-14(13)18(20)21/h2-8H,9H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8716 kcal/mol

Physical Properties
Molecular Weight: 320.732 g/mol	logS: -4.87381	SlogP: 3.4532	Reactive groups: 0

Topological Properties
Globularity: 0.100499	Sterimol/B1: 2.33061	Sterimol/B2: 4.24849	Sterimol/B3: 4.95755
Sterimol/B4: 5.4707	Sterimol/L: 16.8285

Surface and Volume Properties
Accessible surface: 544.766	Positive charged surface: 275.271	Negative charged surface: 269.495	Volume: 276.875
Hydrophobic surface: 426.037	Hydrophilic surface: 118.729

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.