MMsINC Database Search


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MMsINC code: MMs02417778

Type: Neutral
Formula: C₁₆H₃₂N₄O₄

SMILES:

O(CCCNCC(=O)N1CCN(CC1)C(=O)CNCCCOC)C

InChI:

InChI=1/C16H32N4O4/c1-23-11-3-5-17-13-15(21)19-7-9-20(10-8-19)16(22)14-18-6-4-12-24-2/h17-18H,3-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9257 kcal/mol

Physical Properties
Molecular Weight: 344.456 g/mol	logS: -0.09524	SlogP: -1.0906	Reactive groups: 0

Topological Properties
Globularity: 0.0148299	Sterimol/B1: 2.09256	Sterimol/B2: 2.84711	Sterimol/B3: 3.20318
Sterimol/B4: 7.72418	Sterimol/L: 25.2383

Surface and Volume Properties
Accessible surface: 698.87	Positive charged surface: 613.221	Negative charged surface: 85.6489	Volume: 356.375
Hydrophobic surface: 576.412	Hydrophilic surface: 122.458

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.