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MMsINC code: MMs03028688

Type: Neutral
Formula: C₁₈H₂₄N₂O

SMILES:

O=C(NCCN(CC)CC)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C18H24N2O/c1-3-20(4-2)13-12-19-18(21)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,3-4,12-14H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.386 kcal/mol

Physical Properties
Molecular Weight: 284.403 g/mol	logS: -4.02267	SlogP: 2.84027	Reactive groups: 0

Topological Properties
Globularity: 0.0716881	Sterimol/B1: 2.30017	Sterimol/B2: 3.61377	Sterimol/B3: 5.62587
Sterimol/B4: 6.27849	Sterimol/L: 15.9561

Surface and Volume Properties
Accessible surface: 579.948	Positive charged surface: 390.95	Negative charged surface: 179.699	Volume: 306.5
Hydrophobic surface: 495.839	Hydrophilic surface: 84.109

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03028689
PUBCHEM-ZINC03634079