MMsINC Database Search


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MMsINC code: MMs00123475

Type: Neutral
Formula: C₁₄H₂₈N₄O₂

SMILES:

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

InChI:

InChI=1/C14H28N4O2/c1-5-15(6-2)13(19)17-9-11-18(12-10-17)14(20)16(7-3)8-4/h5-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=206.188 kcal/mol

Physical Properties
Molecular Weight: 284.404 g/mol	logS: -0.65184	SlogP: 1.5276	Reactive groups: 0

Topological Properties
Globularity: 0.0513132	Sterimol/B1: 2.85351	Sterimol/B2: 3.28851	Sterimol/B3: 3.36582
Sterimol/B4: 5.9655	Sterimol/L: 16.1762

Surface and Volume Properties
Accessible surface: 527.781	Positive charged surface: 403.154	Negative charged surface: 124.627	Volume: 291
Hydrophobic surface: 389.103	Hydrophilic surface: 138.678

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.