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MMsINC code: MMs03060248

Type: Neutral
Formula: C₁₉H₂₂Cl₂N₂O

SMILES:

Clc1c(cccc1Cl)C(N1CCNCC1)c1cc(OCC)ccc1

InChI:

InChI=1/C19H22Cl2N2O/c1-2-24-15-6-3-5-14(13-15)19(23-11-9-22-10-12-23)16-7-4-8-17(20)18(16)21/h3-8,13,19,22H,2,9-12H2,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.429 kcal/mol

Physical Properties
Molecular Weight: 365.304 g/mol	logS: -4.78618	SlogP: 4.4822	Reactive groups: 0

Topological Properties
Globularity: 0.134026	Sterimol/B1: 3.49932	Sterimol/B2: 5.52684	Sterimol/B3: 5.53014
Sterimol/B4: 7.56019	Sterimol/L: 15.3217

Surface and Volume Properties
Accessible surface: 601.783	Positive charged surface: 374.577	Negative charged surface: 227.207	Volume: 341.5
Hydrophobic surface: 537.262	Hydrophilic surface: 64.521

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

MMs03060249
PUBCHEM-ZINC03729233