MMsINC Database Search


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MMsINC code: MMs03509664

Type: Neutral
Formula: C₁₀H₂₁NO₂

SMILES:

O(C(=O)NCC(CCCC)CC)C

InChI:

InChI=1/C10H21NO2/c1-4-6-7-9(5-2)8-11-10(12)13-3/h9H,4-8H2,1-3H3,(H,11,12)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.00856 kcal/mol

Physical Properties
Molecular Weight: 187.283 g/mol	logS: -2.63156	SlogP: 2.5588	Reactive groups: 0

Topological Properties
Globularity: 0.0615273	Sterimol/B1: 2.29268	Sterimol/B2: 2.5734	Sterimol/B3: 3.29009
Sterimol/B4: 8.15669	Sterimol/L: 14.3393

Surface and Volume Properties
Accessible surface: 453.891	Positive charged surface: 359.9	Negative charged surface: 93.9905	Volume: 209.75
Hydrophobic surface: 346.967	Hydrophilic surface: 106.924

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.