MMsINC Database Search


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MMsINC code: MMs03612106

Type: Neutral
Formula: C₂₂H₂₁Cl₂NO₂

SMILES:

Clc1cc(cc(OC)c1OCc1ccc(cc1)C)CNc1cc(Cl)ccc1

InChI:

InChI=1/C22H21Cl2NO2/c1-15-6-8-16(9-7-15)14-27-22-20(24)10-17(11-21(22)26-2)13-25-19-5-3-4-18(23)12-19/h3-12,25H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.467 kcal/mol

Physical Properties
Molecular Weight: 402.321 g/mol	logS: -6.7604	SlogP: 7.03432	Reactive groups: 0

Topological Properties
Globularity: 0.0366296	Sterimol/B1: 3.25281	Sterimol/B2: 4.71401	Sterimol/B3: 5.10309
Sterimol/B4: 5.96015	Sterimol/L: 21.5169

Surface and Volume Properties
Accessible surface: 698.064	Positive charged surface: 381.5	Negative charged surface: 316.564	Volume: 378.625
Hydrophobic surface: 664.63	Hydrophilic surface: 33.434

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.