MMsINC Database Search


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MMsINC code: MMs03550093

Type: Neutral
Formula: C₈H₁₄N₂O₄

SMILES:

O(C(=O)N1CCN(CC1)C(OC)=O)C

InChI:

InChI=1/C8H14N2O4/c1-13-7(11)9-3-5-10(6-4-9)8(12)14-2/h3-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.03694 kcal/mol

Physical Properties
Molecular Weight: 202.21 g/mol	logS: -0.02618	SlogP: 0.1368	Reactive groups: 0

Topological Properties
Globularity: 0.0538567	Sterimol/B1: 2.49565	Sterimol/B2: 2.86466	Sterimol/B3: 3.14286
Sterimol/B4: 4.67526	Sterimol/L: 13.4101

Surface and Volume Properties
Accessible surface: 408.757	Positive charged surface: 359.39	Negative charged surface: 49.3668	Volume: 188
Hydrophobic surface: 337.109	Hydrophilic surface: 71.648

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

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.