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MMsINC code: MMs03153861

Type: Neutral
Formula: C₁₉H₁₈N₄O₅

SMILES:

O1c2cc(CNc3ncc(n3C)-c3cc(OC)ccc3)c([N+](=O)[O-])cc2OC1

InChI:

InChI=1/C19H18N4O5/c1-22-16(12-4-3-5-14(6-12)26-2)10-21-19(22)20-9-13-7-17-18(28-11-27-17)8-15(13)23(24)25/h3-8,10H,9,11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.428 kcal/mol

Physical Properties
Molecular Weight: 382.376 g/mol	logS: -5.2401	SlogP: 3.9703	Reactive groups: 0

Topological Properties
Globularity: 0.0567634	Sterimol/B1: 3.5407	Sterimol/B2: 3.71591	Sterimol/B3: 5.60167
Sterimol/B4: 5.98193	Sterimol/L: 19.1119

Surface and Volume Properties
Accessible surface: 622.834	Positive charged surface: 416.158	Negative charged surface: 206.676	Volume: 339.75
Hydrophobic surface: 461.039	Hydrophilic surface: 161.795

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.