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MMsINC code: MMs01653939

Type: Neutral
Formula: C₁₅H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1CCNC(=O)CN1CCC(=O)CC1

InChI:

InChI=1/C15H18Cl2N2O2/c16-12-2-1-11(14(17)9-12)3-6-18-15(21)10-19-7-4-13(20)5-8-19/h1-2,9H,3-8,10H2,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.074 kcal/mol

Physical Properties
Molecular Weight: 329.227 g/mol	logS: -3.20298	SlogP: 2.31697	Reactive groups: 0

Topological Properties
Globularity: 0.0482294	Sterimol/B1: 2.27105	Sterimol/B2: 3.23097	Sterimol/B3: 4.65593
Sterimol/B4: 5.30911	Sterimol/L: 18.4379

Surface and Volume Properties
Accessible surface: 569.9	Positive charged surface: 318.349	Negative charged surface: 251.551	Volume: 293.75
Hydrophobic surface: 481.72	Hydrophilic surface: 88.18

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01653940
ENAMINE-ZINC06084052