MMsINC Database Search


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MMsINC code: MMs01737193

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O=C1N(CC(=O)N2C1Cc1c(C2)cccc1)CCc1ccccc1

InChI:

InChI=1/C20H20N2O2/c23-19-14-21(11-10-15-6-2-1-3-7-15)20(24)18-12-16-8-4-5-9-17(16)13-22(18)19/h1-9,18H,10-14H2/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.423 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -3.65368	SlogP: 2.29114	Reactive groups: 0

Topological Properties
Globularity: 0.0306314	Sterimol/B1: 3.03375	Sterimol/B2: 3.45781	Sterimol/B3: 3.54763
Sterimol/B4: 5.53254	Sterimol/L: 18.638

Surface and Volume Properties
Accessible surface: 561.742	Positive charged surface: 344.322	Negative charged surface: 217.42	Volume: 316.75
Hydrophobic surface: 491.557	Hydrophilic surface: 70.185

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.