MMsINC Database Search


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MMsINC code: MMs00483799

Type: Neutral
Formula: C₁₀H₁₈N₂O₄

SMILES:

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

InChI:

InChI=1/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.9449 kcal/mol

Physical Properties
Molecular Weight: 230.264 g/mol	logS: -0.55155	SlogP: -0.1179	Reactive groups: 0

Topological Properties
Globularity: 0.0423078	Sterimol/B1: 2.5166	Sterimol/B2: 3.37353	Sterimol/B3: 4.65583
Sterimol/B4: 5.29636	Sterimol/L: 15.046

Surface and Volume Properties
Accessible surface: 491.239	Positive charged surface: 327.308	Negative charged surface: 163.931	Volume: 222.75
Hydrophobic surface: 301.984	Hydrophilic surface: 189.255

Pharmacophoric Properties
Hydrogen bond donors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs00483800
BACHEM-ZINC02560345