MMsINC Database Search


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MMsINC code: MMs03374301

Type: Neutral
Formula: C₁₀H₁₉N₃O₄

SMILES:

OC(=O)C(NC(=O)C(NC(=O)CN)C)C(C)C

InChI:

InChI=1/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(3)12-7(14)4-11/h5-6,8H,4,11H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7939 kcal/mol

Physical Properties
Molecular Weight: 245.279 g/mol	logS: -0.68084	SlogP: -1.3248	Reactive groups: 0

Topological Properties
Globularity: 0.0517039	Sterimol/B1: 2.89249	Sterimol/B2: 2.95391	Sterimol/B3: 3.07332
Sterimol/B4: 5.7506	Sterimol/L: 14.6938

Surface and Volume Properties
Accessible surface: 473.975	Positive charged surface: 335.59	Negative charged surface: 138.386	Volume: 232
Hydrophobic surface: 207.395	Hydrophilic surface: 266.58

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.