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MMsINC code: MMs00679944

Type: Neutral
Formula: C₂₀H₁₃ClN₄O₄

SMILES:

Clc1ccc(cc1NC(=O)c1cccc([N+](=O)[O-])c1C)-c1oc2cccnc2n1

InChI:

InChI=1/C20H13ClN4O4/c1-11-13(4-2-5-16(11)25(27)28)19(26)23-15-10-12(7-8-14(15)21)20-24-18-17(29-20)6-3-9-22-18/h2-10H,1H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.132 kcal/mol

Physical Properties
Molecular Weight: 408.801 g/mol	logS: -8.80701	SlogP: 5.01212	Reactive groups: 0

Topological Properties
Globularity: 0.0117044	Sterimol/B1: 2.13126	Sterimol/B2: 3.42093	Sterimol/B3: 3.45952
Sterimol/B4: 8.94586	Sterimol/L: 17.7761

Surface and Volume Properties
Accessible surface: 629.513	Positive charged surface: 304.775	Negative charged surface: 324.738	Volume: 344
Hydrophobic surface: 475.375	Hydrophilic surface: 154.138

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.