MMsINC Database Search


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MMsINC code: MMs01328397

Type: Neutral
Formula: C₁₅H₂₄N₂O₃

SMILES:

O(CCN1CCN(CC1)C)c1c(OC)cccc1OC

InChI:

InChI=1/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-20-15-13(18-2)5-4-6-14(15)19-3/h4-6H,7-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.873 kcal/mol

Physical Properties
Molecular Weight: 280.368 g/mol	logS: -1.48064	SlogP: 1.33	Reactive groups: 0

Topological Properties
Globularity: 0.0682709	Sterimol/B1: 2.70951	Sterimol/B2: 4.11126	Sterimol/B3: 4.67652
Sterimol/B4: 5.81632	Sterimol/L: 14.7592

Surface and Volume Properties
Accessible surface: 540.221	Positive charged surface: 485.102	Negative charged surface: 55.1185	Volume: 288.75
Hydrophobic surface: 526.49	Hydrophilic surface: 13.731

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs01328398
ENAMINE-ZINC03247041