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MMsINC code: MMs02286366

Type: Ionized
Formula: C₁₉H₁₈N₃O₅-

SMILES:

O(C)c1c(OC)cc(cc1OC)CNc1nc2c(nc1C(=O)[O-])cccc2

InChI:

InChI=1/C19H19N3O5/c1-25-14-8-11(9-15(26-2)17(14)27-3)10-20-18-16(19(23)24)21-12-6-4-5-7-13(12)22-18/h4-9H,10H2,1-3H3,(H,20,22)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.564 kcal/mol

Physical Properties
Molecular Weight: 368.369 g/mol	logS: -3.09361	SlogP: 1.8976	Reactive groups: 0

Topological Properties
Globularity: 0.108766	Sterimol/B1: 2.24948	Sterimol/B2: 4.74736	Sterimol/B3: 5.59738
Sterimol/B4: 9.37905	Sterimol/L: 18.3609

Surface and Volume Properties
Accessible surface: 643.62	Positive charged surface: 459.116	Negative charged surface: 184.504	Volume: 337
Hydrophobic surface: 495.448	Hydrophilic surface: 148.172

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 2	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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Parent related molecule:

MMs02286365
NCID-ZINC01645530