MMsINC Database Search


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MMsINC code: MMs02358525

Type: Neutral
Formula: C₁₀H₂₀N₂O

SMILES:

O=C(N(CC)CC)N1CCCCC1

InChI:

InChI=1/C10H20N2O/c1-3-11(4-2)10(13)12-8-6-5-7-9-12/h3-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7654 kcal/mol

Physical Properties
Molecular Weight: 184.283 g/mol	logS: -0.80092	SlogP: 1.9341	Reactive groups: 0

Topological Properties
Globularity: 0.110936	Sterimol/B1: 2.72094	Sterimol/B2: 2.86557	Sterimol/B3: 3.28471
Sterimol/B4: 6.04179	Sterimol/L: 11.8097

Surface and Volume Properties
Accessible surface: 395.434	Positive charged surface: 313.93	Negative charged surface: 81.5038	Volume: 199.875
Hydrophobic surface: 329.072	Hydrophilic surface: 66.362

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.