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MMsINC code: MMs02817467

Type: Neutral
Formula: C₂₀H₂₂N₂O

SMILES:

O=C(N(CC)CC)Cn1c2c(cc1-c1ccccc1)cccc2

InChI:

InChI=1/C20H22N2O/c1-3-21(4-2)20(23)15-22-18-13-9-8-12-17(18)14-19(22)16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5137 kcal/mol

Physical Properties
Molecular Weight: 306.409 g/mol	logS: -4.68497	SlogP: 4.4431	Reactive groups: 0

Topological Properties
Globularity: 0.120113	Sterimol/B1: 2.41553	Sterimol/B2: 2.89434	Sterimol/B3: 4.97091
Sterimol/B4: 10.1576	Sterimol/L: 12.5564

Surface and Volume Properties
Accessible surface: 557.285	Positive charged surface: 326.669	Negative charged surface: 224.637	Volume: 322.375
Hydrophobic surface: 497.92	Hydrophilic surface: 59.365

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.