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MMsINC code: MMs03039343

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

O(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(O)CN1CCNCC1

InChI:

InChI=1/C19H23N3O4/c23-18(13-21-10-8-20-9-11-21)17-12-16(22(24)25)6-7-19(17)26-14-15-4-2-1-3-5-15/h1-7,12,18,20,23H,8-11,13-14H2/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.408 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -3.57808	SlogP: 2.4743	Reactive groups: 0

Topological Properties
Globularity: 0.127779	Sterimol/B1: 2.13069	Sterimol/B2: 3.5067	Sterimol/B3: 3.67737
Sterimol/B4: 10.7666	Sterimol/L: 14.9675

Surface and Volume Properties
Accessible surface: 620.085	Positive charged surface: 389.979	Negative charged surface: 230.106	Volume: 341.25
Hydrophobic surface: 465.724	Hydrophilic surface: 154.361

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03039344
PUBCHEM-ZINC03677284