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MMsINC code: MMs00483161

Type: Neutral
Formula: C₁₀H₂₀N₄O₄

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8559 kcal/mol

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

Topological Properties
Globularity: 0.0358798	Sterimol/B1: 2.70358	Sterimol/B2: 3.28419	Sterimol/B3: 5.0019
Sterimol/B4: 5.46766	Sterimol/L: 16.5725

Surface and Volume Properties
Accessible surface: 526.631	Positive charged surface: 398.771	Negative charged surface: 127.86	Volume: 244.375
Hydrophobic surface: 220.021	Hydrophilic surface: 306.61

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

MMs00483162
BACHEM-ZINC02392318