MMsINC Database Search


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MMsINC code: MMs03027413

Type: Neutral
Formula: C₁₄H₂₆N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)CC(C)C)CC(C)C

InChI:

InChI=1/C14H26N2O2/c1-11(2)9-13(17)15-5-7-16(8-6-15)14(18)10-12(3)4/h11-12H,5-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7472 kcal/mol

Physical Properties
Molecular Weight: 254.374 g/mol	logS: -2.35168	SlogP: 1.7494	Reactive groups: 0

Topological Properties
Globularity: 0.0516693	Sterimol/B1: 2.55548	Sterimol/B2: 3.78338	Sterimol/B3: 4.29184
Sterimol/B4: 4.41393	Sterimol/L: 16.3524

Surface and Volume Properties
Accessible surface: 522.366	Positive charged surface: 407.491	Negative charged surface: 114.875	Volume: 275.75
Hydrophobic surface: 398.286	Hydrophilic surface: 124.08

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.