MMsINC Database Search


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MMsINC code: MMs02125775

Type: Neutral
Formula: C₁₈H₂₄Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)CC(=O)N1CCCCC1CN1CCCC1

InChI:

InChI=1/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6045 kcal/mol

Physical Properties
Molecular Weight: 355.309 g/mol	logS: -4.15949	SlogP: 4.01277	Reactive groups: 0

Topological Properties
Globularity: 0.12073	Sterimol/B1: 2.6382	Sterimol/B2: 5.08267	Sterimol/B3: 5.65258
Sterimol/B4: 6.67083	Sterimol/L: 15.3439

Surface and Volume Properties
Accessible surface: 606.271	Positive charged surface: 388.855	Negative charged surface: 217.416	Volume: 335.5
Hydrophobic surface: 593.932	Hydrophilic surface: 12.339

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02125776
LOPAC-ZINC02567733