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MMsINC code: MMs01646945

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(CCNC(=O)Cc1c2c([nH]c1)cccc2)c1ccccc1OC

InChI:

InChI=1/C19H20N2O3/c1-23-17-8-4-5-9-18(17)24-11-10-20-19(22)12-14-13-21-16-7-3-2-6-15(14)16/h2-9,13,21H,10-12H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0051 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.77748	SlogP: 2.91417	Reactive groups: 0

Topological Properties
Globularity: 0.0373266	Sterimol/B1: 2.26926	Sterimol/B2: 3.11084	Sterimol/B3: 3.84488
Sterimol/B4: 7.48425	Sterimol/L: 18.3496

Surface and Volume Properties
Accessible surface: 628.471	Positive charged surface: 421.111	Negative charged surface: 203.068	Volume: 317.875
Hydrophobic surface: 531.034	Hydrophilic surface: 97.437

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.