MMsINC Database Search


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MMsINC code: MMs01456371

Type: Neutral
Formula: C₁₆H₂₀N₄O₄

SMILES:

O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC1(C)c1ccccc1

InChI:

InChI=1/C16H20N4O4/c1-10(2)17-14(23)18-12(21)9-20-13(22)16(3,19-15(20)24)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,24)(H2,17,18,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.3851 kcal/mol

Physical Properties
Molecular Weight: 332.36 g/mol	logS: -3.18512	SlogP: 0.9993	Reactive groups: 0

Topological Properties
Globularity: 0.0760458	Sterimol/B1: 2.57061	Sterimol/B2: 4.90259	Sterimol/B3: 5.16864
Sterimol/B4: 5.36134	Sterimol/L: 15.8095

Surface and Volume Properties
Accessible surface: 588.431	Positive charged surface: 368.667	Negative charged surface: 219.764	Volume: 308.625
Hydrophobic surface: 353.919	Hydrophilic surface: 234.512

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.