MMsINC Database Search


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MMsINC code: MMs02019983

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1ccccc1NC(=O)C1CCCCC1)cccc2

InChI:

InChI=1/C20H20N2O2/c23-19(14-8-2-1-3-9-14)21-16-11-5-4-10-15(16)20-22-17-12-6-7-13-18(17)24-20/h4-7,10-14H,1-3,8-9H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3067 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -6.75716	SlogP: 5.0136	Reactive groups: 0

Topological Properties
Globularity: 0.0521857	Sterimol/B1: 2.56587	Sterimol/B2: 3.49911	Sterimol/B3: 3.69766
Sterimol/B4: 10.591	Sterimol/L: 14.8287

Surface and Volume Properties
Accessible surface: 578.44	Positive charged surface: 371.59	Negative charged surface: 206.85	Volume: 316
Hydrophobic surface: 527.635	Hydrophilic surface: 50.805

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.