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MMsINC code: MMs00342289

Type: Neutral
Formula: C₁₄H₂₀Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)CNCCCN1CCOCC1

InChI:

InChI=1/C14H20Cl2N2O/c15-13-3-2-12(10-14(13)16)11-17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8409 kcal/mol

Physical Properties
Molecular Weight: 303.233 g/mol	logS: -2.9851	SlogP: 3.0717	Reactive groups: 0

Topological Properties
Globularity: 0.0572559	Sterimol/B1: 2.70314	Sterimol/B2: 2.83357	Sterimol/B3: 4.25833
Sterimol/B4: 5.54005	Sterimol/L: 17.9683

Surface and Volume Properties
Accessible surface: 560.531	Positive charged surface: 368.108	Negative charged surface: 192.423	Volume: 283.5
Hydrophobic surface: 524.946	Hydrophilic surface: 35.585

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00342290
ASINEX-ZINC04488547