MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01208949

Type: Neutral
Formula: C₁₄H₂₄N₂O

SMILES:

O=C(NCCC)c1n(CC)c(C)c(CC)c1C

InChI:

InChI=1/C14H24N2O/c1-6-9-15-14(17)13-10(4)12(7-2)11(5)16(13)8-3/h6-9H2,1-5H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.8453 kcal/mol

Physical Properties
Molecular Weight: 236.359 g/mol	logS: -2.0269	SlogP: 3.09341	Reactive groups: 0

Topological Properties
Globularity: 0.104567	Sterimol/B1: 2.84293	Sterimol/B2: 3.91275	Sterimol/B3: 4.27873
Sterimol/B4: 6.44112	Sterimol/L: 13.9474

Surface and Volume Properties
Accessible surface: 513.747	Positive charged surface: 368.893	Negative charged surface: 144.854	Volume: 267.375
Hydrophobic surface: 407.442	Hydrophilic surface: 106.305

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.