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MMsINC code: MMs03192844

Type: Neutral
Formula: C₂₀H₃₀N₂O₂

SMILES:

O1CCCC1CNC(=O)C1CCN(CC1)Cc1ccc(cc1)CC

InChI:

InChI=1/C20H30N2O2/c1-2-16-5-7-17(8-6-16)15-22-11-9-18(10-12-22)20(23)21-14-19-4-3-13-24-19/h5-8,18-19H,2-4,9-15H2,1H3,(H,21,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9525 kcal/mol

Physical Properties
Molecular Weight: 330.472 g/mol	logS: -3.42192	SlogP: 3.02257	Reactive groups: 0

Topological Properties
Globularity: 0.0486762	Sterimol/B1: 2.61559	Sterimol/B2: 3.46808	Sterimol/B3: 3.71409
Sterimol/B4: 7.60859	Sterimol/L: 19.8448

Surface and Volume Properties
Accessible surface: 653.578	Positive charged surface: 500.756	Negative charged surface: 152.821	Volume: 350.875
Hydrophobic surface: 574.45	Hydrophilic surface: 79.128

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs03192845
PUBCHEM-ZINC05045692