MMsINC Database Search


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MMsINC code: MMs03232062

Type: Neutral
Formula: C₁₄H₂₆N₂O₂

SMILES:

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

InChI:

InChI=1/C14H26N2O2/c1-13(2,3)11(17)15-7-9-16(10-8-15)12(18)14(4,5)6/h7-10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.634 kcal/mol

Physical Properties
Molecular Weight: 254.374 g/mol	logS: -1.09788	SlogP: 1.7494	Reactive groups: 0

Topological Properties
Globularity: 0.119433	Sterimol/B1: 3.48965	Sterimol/B2: 3.55141	Sterimol/B3: 3.74277
Sterimol/B4: 4.59831	Sterimol/L: 13.7718

Surface and Volume Properties
Accessible surface: 474.857	Positive charged surface: 338.256	Negative charged surface: 136.601	Volume: 267.5
Hydrophobic surface: 331.01	Hydrophilic surface: 143.847

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.