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MMsINC code: MMs00751632

Type: Neutral
Formula: C₁₄H₂₀Cl₂N₂O

SMILES:

Clc1cc(OCCCN2CCN(CC2)C)ccc1Cl

InChI:

InChI=1/C14H20Cl2N2O/c1-17-6-8-18(9-7-17)5-2-10-19-12-3-4-13(15)14(16)11-12/h3-4,11H,2,5-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2421 kcal/mol

Physical Properties
Molecular Weight: 303.233 g/mol	logS: -3.05023	SlogP: 3.0097	Reactive groups: 0

Topological Properties
Globularity: 0.0269593	Sterimol/B1: 3.00638	Sterimol/B2: 3.24666	Sterimol/B3: 3.39134
Sterimol/B4: 5.26115	Sterimol/L: 18.7254

Surface and Volume Properties
Accessible surface: 556.852	Positive charged surface: 371.181	Negative charged surface: 185.671	Volume: 282.5
Hydrophobic surface: 547.197	Hydrophilic surface: 9.655

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00751633
CHEMBRIDGE-ZINC03003733