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MMsINC code: MMs02648762

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O1c2c(cccc2)C(Nc2ccccc2)=C(CN2CCCC2)C1=O

InChI:

InChI=1/C20H20N2O2/c23-20-17(14-22-12-6-7-13-22)19(21-15-8-2-1-3-9-15)16-10-4-5-11-18(16)24-20/h1-5,8-11,21H,6-7,12-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.452 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -4.88721	SlogP: 3.5246	Reactive groups: 0

Topological Properties
Globularity: 0.151121	Sterimol/B1: 2.42329	Sterimol/B2: 3.18223	Sterimol/B3: 4.5347
Sterimol/B4: 9.67882	Sterimol/L: 14.1022

Surface and Volume Properties
Accessible surface: 533.34	Positive charged surface: 354.281	Negative charged surface: 179.06	Volume: 315.375
Hydrophobic surface: 457.879	Hydrophilic surface: 75.461

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02648763
PUBCHEM-ZINC00272743