MMsINC Database Search


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MMsINC code: MMs02815903

Type: Neutral
Formula: C₁₆H₂₄N₄O₃

SMILES:

O=C1N(CC(=O)C)C(=O)N(c2ncn(c12)CCCC)CCCC

InChI:

InChI=1/C16H24N4O3/c1-4-6-8-18-11-17-14-13(18)15(22)20(10-12(3)21)16(23)19(14)9-7-5-2/h11H,4-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-16.9424 kcal/mol

Physical Properties
Molecular Weight: 320.393 g/mol	logS: -3.11544	SlogP: 2.7209	Reactive groups: 1

Topological Properties
Globularity: 0.108233	Sterimol/B1: 2.26511	Sterimol/B2: 3.09442	Sterimol/B3: 5.38412
Sterimol/B4: 9.55102	Sterimol/L: 16.0057

Surface and Volume Properties
Accessible surface: 600.452	Positive charged surface: 440.54	Negative charged surface: 159.911	Volume: 316.875
Hydrophobic surface: 451.079	Hydrophilic surface: 149.373

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.