MMsINC Database Search


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MMsINC code: MMs01946866

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O1CCN(CC1)C(=O)N(Cc1ccccc1)CCc1ccccc1

InChI:

InChI=1/C20H24N2O2/c23-20(21-13-15-24-16-14-21)22(17-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h1-10H,11-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.579 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.2811	SlogP: 3.44987	Reactive groups: 0

Topological Properties
Globularity: 0.0938588	Sterimol/B1: 2.68081	Sterimol/B2: 3.23635	Sterimol/B3: 4.35574
Sterimol/B4: 9.85505	Sterimol/L: 14.4413

Surface and Volume Properties
Accessible surface: 562.968	Positive charged surface: 370.549	Negative charged surface: 192.418	Volume: 329.875
Hydrophobic surface: 521.372	Hydrophilic surface: 41.596

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.