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MMsINC code: MMs02649165

Type: Neutral
Formula: C₁₃H₂₀Cl₂N₂

SMILES:

Clc1c(cccc1Cl)CN(CCN(C)C)CC

InChI:

InChI=1/C13H20Cl2N2/c1-4-17(9-8-16(2)3)10-11-6-5-7-12(14)13(11)15/h5-7H,4,8-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4428 kcal/mol

Physical Properties
Molecular Weight: 275.223 g/mol	logS: -2.95001	SlogP: 3.6433	Reactive groups: 0

Topological Properties
Globularity: 0.193869	Sterimol/B1: 2.42305	Sterimol/B2: 3.89817	Sterimol/B3: 4.24133
Sterimol/B4: 8.15824	Sterimol/L: 12.6194

Surface and Volume Properties
Accessible surface: 501.367	Positive charged surface: 329.861	Negative charged surface: 171.506	Volume: 269.375
Hydrophobic surface: 473.432	Hydrophilic surface: 27.935

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02649166
PUBCHEM-ZINC00277510