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MMsINC code: MMs02412312

Type: Neutral
Formula: C₁₄H₂₇NO₂

SMILES:

O(C(=O)C1CCCCC1C)CCN(CC)CC

InChI:

InChI=1/C14H27NO2/c1-4-15(5-2)10-11-17-14(16)13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3/t12-,13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8488 kcal/mol

Physical Properties
Molecular Weight: 241.375 g/mol	logS: -2.92076	SlogP: 2.6977	Reactive groups: 0

Topological Properties
Globularity: 0.139164	Sterimol/B1: 2.431	Sterimol/B2: 2.72096	Sterimol/B3: 5.90735
Sterimol/B4: 6.08273	Sterimol/L: 13.2959

Surface and Volume Properties
Accessible surface: 510.855	Positive charged surface: 400.497	Negative charged surface: 110.358	Volume: 267.375
Hydrophobic surface: 426.898	Hydrophilic surface: 83.957

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02412313
NCID-ZINC04886891