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MMsINC code: MMs02852797

Type: Neutral
Formula: C₁₄H₂₁ClN₂O₂

SMILES:

Clc1ccccc1COC(=O)NCCN(CC)CC

InChI:

InChI=1/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)19-11-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.8709 kcal/mol

Physical Properties
Molecular Weight: 284.787 g/mol	logS: -2.89443	SlogP: 3.1744	Reactive groups: 0

Topological Properties
Globularity: 0.0317649	Sterimol/B1: 2.29633	Sterimol/B2: 2.41866	Sterimol/B3: 4.47012
Sterimol/B4: 6.65416	Sterimol/L: 17.2361

Surface and Volume Properties
Accessible surface: 564.278	Positive charged surface: 356.403	Negative charged surface: 207.874	Volume: 282.125
Hydrophobic surface: 455.762	Hydrophilic surface: 108.516

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02852798
PUBCHEM-ZINC02016929