MMsINC Database Search


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MMsINC code: MMs02307500

Type: Neutral
Formula: C₈H₁₄N₂O₂

SMILES:

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

InChI:

InChI=1/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4133 kcal/mol

Physical Properties
Molecular Weight: 170.212 g/mol	logS: 0.11274	SlogP: -0.303	Reactive groups: 0

Topological Properties
Globularity: 0.0866959	Sterimol/B1: 3.03837	Sterimol/B2: 3.05944	Sterimol/B3: 3.72301
Sterimol/B4: 4.04272	Sterimol/L: 11.9627

Surface and Volume Properties
Accessible surface: 362.302	Positive charged surface: 258.818	Negative charged surface: 103.484	Volume: 168.875
Hydrophobic surface: 283.189	Hydrophilic surface: 79.113

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.