MMsINC Database Search


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MMsINC code: MMs03136754

Type: Neutral
Formula: C₂₃H₂₁Cl₂NO₂

SMILES:

Clc1ccc(cc1)C(=NCCc1cc(OC)c(OC)cc1)c1ccc(Cl)cc1

InChI:

InChI=1/C23H21Cl2NO2/c1-27-21-12-3-16(15-22(21)28-2)13-14-26-23(17-4-8-19(24)9-5-17)18-6-10-20(25)11-7-18/h3-12,15H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.784 kcal/mol

Physical Properties
Molecular Weight: 414.332 g/mol	logS: -6.95117	SlogP: 6.09067	Reactive groups: 0

Topological Properties
Globularity: 0.0420293	Sterimol/B1: 3.12872	Sterimol/B2: 3.6824	Sterimol/B3: 5.67243
Sterimol/B4: 7.38793	Sterimol/L: 19.1476

Surface and Volume Properties
Accessible surface: 688.953	Positive charged surface: 387.544	Negative charged surface: 301.409	Volume: 386.125
Hydrophobic surface: 664.544	Hydrophilic surface: 24.409

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.