MMsINC Database Search


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MMsINC code: MMs03640445

Type: Neutral
Formula: C₁₄H₂₆N₂O₂

SMILES:

O=C(N1CC(N(CC1C)C(=O)C(C)C)C)C(C)C

InChI:

InChI=1/C14H26N2O2/c1-9(2)13(17)15-7-12(6)16(8-11(15)5)14(18)10(3)4/h9-12H,7-8H2,1-6H3/t11-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.252 kcal/mol

Physical Properties
Molecular Weight: 254.374 g/mol	logS: -1.34876	SlogP: 1.7462	Reactive groups: 0

Topological Properties
Globularity: 0.120647	Sterimol/B1: 2.20862	Sterimol/B2: 2.3053	Sterimol/B3: 4.70339
Sterimol/B4: 6.74843	Sterimol/L: 14.2514

Surface and Volume Properties
Accessible surface: 485.667	Positive charged surface: 347.227	Negative charged surface: 138.44	Volume: 270.5
Hydrophobic surface: 341.606	Hydrophilic surface: 144.061

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.