MMsINC Database Search


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MMsINC code: MMs02330445

Type: Neutral
Formula: C₁₆H₂₄Cl₂N₂O

SMILES:

ClCCN(CCCl)c1ccc(cc1)CCCC(=O)N(C)C

InChI:

InChI=1/C16H24Cl2N2O/c1-19(2)16(21)5-3-4-14-6-8-15(9-7-14)20(12-10-17)13-11-18/h6-9H,3-5,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3954 kcal/mol

Physical Properties
Molecular Weight: 331.287 g/mol	logS: -3.3416	SlogP: 3.38147	Reactive groups: 1

Topological Properties
Globularity: 0.0571339	Sterimol/B1: 2.33117	Sterimol/B2: 4.96046	Sterimol/B3: 5.03292
Sterimol/B4: 6.04296	Sterimol/L: 17.5785

Surface and Volume Properties
Accessible surface: 615.023	Positive charged surface: 391.005	Negative charged surface: 224.017	Volume: 325.375
Hydrophobic surface: 429.958	Hydrophilic surface: 185.065

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.