MMsINC Database Search


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MMsINC code: MMs02308676

Type: Neutral
Formula: C₁₁H₂₂N₂O₂

SMILES:

O(C(=O)NC)C1CCCCC1CN(C)C

InChI:

InChI=1/C11H22N2O2/c1-12-11(14)15-10-7-5-4-6-9(10)8-13(2)3/h9-10H,4-8H2,1-3H3,(H,12,14)/t9-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.6973 kcal/mol

Physical Properties
Molecular Weight: 214.309 g/mol	logS: -1.08352	SlogP: 1.4628	Reactive groups: 0

Topological Properties
Globularity: 0.139579	Sterimol/B1: 3.33696	Sterimol/B2: 3.36038	Sterimol/B3: 3.54126
Sterimol/B4: 7.17652	Sterimol/L: 12.3118

Surface and Volume Properties
Accessible surface: 465.677	Positive charged surface: 410.544	Negative charged surface: 55.133	Volume: 229
Hydrophobic surface: 407.661	Hydrophilic surface: 58.016

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02308677
NCID-ZINC01672655