MMsINC Database Search


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MMsINC code: MMs01402219

Type: Neutral
Formula: C₁₃H₂₀N₄O₅

SMILES:

O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)NC(C)C)C1=O

InChI:

InChI=1/C13H20N4O5/c1-4-5-6-16-10(19)11(20)17(13(16)22)7-9(18)15-12(21)14-8(2)3/h8H,4-7H2,1-3H3,(H2,14,15,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.1526 kcal/mol

Physical Properties
Molecular Weight: 312.326 g/mol	logS: -2.41553	SlogP: -0.1885	Reactive groups: 0

Topological Properties
Globularity: 0.0396148	Sterimol/B1: 2.89967	Sterimol/B2: 3.23891	Sterimol/B3: 3.70097
Sterimol/B4: 5.98801	Sterimol/L: 19.1282

Surface and Volume Properties
Accessible surface: 579.916	Positive charged surface: 382.125	Negative charged surface: 197.791	Volume: 287.25
Hydrophobic surface: 302.3	Hydrophilic surface: 277.616

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.