MMsINC Database Search


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MMsINC code: MMs03279470

Type: Neutral
Formula: C₁₀H₁₉NO₂

SMILES:

O(CC)C(=O)NC1CCCCCC1

InChI:

InChI=1/C10H19NO2/c1-2-13-10(12)11-9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.81347 kcal/mol

Physical Properties
Molecular Weight: 185.267 g/mol	logS: -2.1535	SlogP: 2.4553	Reactive groups: 0

Topological Properties
Globularity: 0.0727181	Sterimol/B1: 3.1305	Sterimol/B2: 3.246	Sterimol/B3: 3.75577
Sterimol/B4: 4.10624	Sterimol/L: 13.9153

Surface and Volume Properties
Accessible surface: 414.486	Positive charged surface: 321.537	Negative charged surface: 92.9494	Volume: 196.875
Hydrophobic surface: 334.767	Hydrophilic surface: 79.719

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.