MMsINC Database Search


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MMsINC code: MMs02142367

Type: Neutral
Formula: C₁₁H₁₈N₂O₄

SMILES:

O=C1NCCCCC1NC(=O)CCCC(O)=O

InChI:

InChI=1/C11H18N2O4/c14-9(5-3-6-10(15)16)13-8-4-1-2-7-12-11(8)17/h8H,1-7H2,(H,12,17)(H,13,14)(H,15,16)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6194 kcal/mol

Physical Properties
Molecular Weight: 242.275 g/mol	logS: -0.65128	SlogP: 0.0262	Reactive groups: 0

Topological Properties
Globularity: 0.054871	Sterimol/B1: 2.48133	Sterimol/B2: 2.74618	Sterimol/B3: 4.65995
Sterimol/B4: 4.8054	Sterimol/L: 15.9978

Surface and Volume Properties
Accessible surface: 468.677	Positive charged surface: 338.349	Negative charged surface: 130.328	Volume: 228
Hydrophobic surface: 270.16	Hydrophilic surface: 198.517

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

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Ions/Tautomers related molecules

MMs02142368
MAYBRIDGE-ZINC00153325