MMsINC Database Search


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MMsINC code: MMs02318687

Type: Neutral
Formula: C₁₉H₂₄Cl₂N₂

SMILES:

Clc1ccc(cc1)CNCCCCCNCc1ccc(Cl)cc1

InChI:

InChI=1/C19H24Cl2N2/c20-18-8-4-16(5-9-18)14-22-12-2-1-3-13-23-15-17-6-10-19(21)11-7-17/h4-11,22-23H,1-3,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5709 kcal/mol

Physical Properties
Molecular Weight: 351.321 g/mol	logS: -4.73411	SlogP: 5.5759	Reactive groups: 0

Topological Properties
Globularity: 0.0400844	Sterimol/B1: 2.44911	Sterimol/B2: 3.66957	Sterimol/B3: 4.18933
Sterimol/B4: 4.91809	Sterimol/L: 23.5507

Surface and Volume Properties
Accessible surface: 688.177	Positive charged surface: 396.713	Negative charged surface: 291.464	Volume: 348.875
Hydrophobic surface: 645.471	Hydrophilic surface: 42.706

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02318688
NCID-ZINC01685525