MMsINC Database Search


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MMsINC code: MMs00260687

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

O1CCN(CC1)CCCNC(=O)COc1ccc(cc1)C

InChI:

InChI=1/C16H24N2O3/c1-14-3-5-15(6-4-14)21-13-16(19)17-7-2-8-18-9-11-20-12-10-18/h3-6H,2,7-13H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5977 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -2.47289	SlogP: 1.21232	Reactive groups: 0

Topological Properties
Globularity: 0.0160993	Sterimol/B1: 2.97234	Sterimol/B2: 3.07819	Sterimol/B3: 3.39093
Sterimol/B4: 5.01017	Sterimol/L: 20.6344

Surface and Volume Properties
Accessible surface: 603.141	Positive charged surface: 454.434	Negative charged surface: 148.707	Volume: 299
Hydrophobic surface: 524.345	Hydrophilic surface: 78.796

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00260688
ASINEX-ZINC02024916