MMsINC Database Search


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MMsINC code: MMs02644198

Type: Neutral
Formula: C₁₄H₂₀Cl₂N₂

SMILES:

Clc1c(cccc1Cl)CN(C)C1CCN(CC1)C

InChI:

InChI=1/C14H20Cl2N2/c1-17-8-6-12(7-9-17)18(2)10-11-4-3-5-13(15)14(11)16/h3-5,12H,6-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1325 kcal/mol

Physical Properties
Molecular Weight: 287.234 g/mol	logS: -3.17518	SlogP: 3.7858	Reactive groups: 0

Topological Properties
Globularity: 0.0834	Sterimol/B1: 3.2027	Sterimol/B2: 3.56331	Sterimol/B3: 3.76695
Sterimol/B4: 5.02437	Sterimol/L: 15.1341

Surface and Volume Properties
Accessible surface: 495.702	Positive charged surface: 329.263	Negative charged surface: 166.439	Volume: 276.5
Hydrophobic surface: 488.61	Hydrophilic surface: 7.092

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

MMs02644199
PUBCHEM-ZINC00239422