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MMsINC code: MMs03047870

Type: Neutral
Formula: C₁₉H₂₂Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)C(N1CCCNCC1)c1cc(OC)ccc1

InChI:

InChI=1/C19H22Cl2N2O/c1-24-16-5-2-4-14(12-16)19(23-10-3-8-22-9-11-23)15-6-7-17(20)18(21)13-15/h2,4-7,12-13,19,22H,3,8-11H2,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.384 kcal/mol

Physical Properties
Molecular Weight: 365.304 g/mol	logS: -4.66074	SlogP: 4.4822	Reactive groups: 0

Topological Properties
Globularity: 0.175547	Sterimol/B1: 3.14854	Sterimol/B2: 4.8153	Sterimol/B3: 5.42448
Sterimol/B4: 8.54445	Sterimol/L: 14.2893

Surface and Volume Properties
Accessible surface: 585.917	Positive charged surface: 369.904	Negative charged surface: 216.013	Volume: 343.25
Hydrophobic surface: 546.944	Hydrophilic surface: 38.973

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

MMs03047871
PUBCHEM-ZINC03699289