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MMsINC code: MMs00292728

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O1CCN(CC1)CCCN1C(=O)c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0106 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.20375	SlogP: 2.1581	Reactive groups: 0

Topological Properties
Globularity: 0.0727342	Sterimol/B1: 2.63137	Sterimol/B2: 3.04041	Sterimol/B3: 4.82829
Sterimol/B4: 7.16009	Sterimol/L: 16.6628

Surface and Volume Properties
Accessible surface: 563.804	Positive charged surface: 387.069	Negative charged surface: 165.664	Volume: 310.125
Hydrophobic surface: 487.891	Hydrophilic surface: 75.913

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00292729
ASINEX-ZINC03898715