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MMsINC code: MMs00484128

Type: Neutral
Formula: C₁₀H₂₀N₄O₄

SMILES:

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

InChI:

InChI=1/C10H20N4O4/c11-4-2-1-3-7(14-8(15)5-12)10(18)13-6-9(16)17/h7H,1-6,11-12H2,(H,13,18)(H,14,15)(H,16,17)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4039 kcal/mol

Physical Properties
Molecular Weight: 260.294 g/mol	logS: 0.08045	SlogP: -2.2403	Reactive groups: 0

Topological Properties
Globularity: 0.0797236	Sterimol/B1: 2.75577	Sterimol/B2: 3.51415	Sterimol/B3: 3.97807
Sterimol/B4: 7.53847	Sterimol/L: 14.9642

Surface and Volume Properties
Accessible surface: 522.467	Positive charged surface: 404.45	Negative charged surface: 118.017	Volume: 243.75
Hydrophobic surface: 213.345	Hydrophilic surface: 309.122

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

MMs00484129
BACHEM-ZINC02561038