MMsINC Database Search


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MMsINC code: MMs00701214

Type: Neutral
Formula: C₂₂H₁₆Cl₂N₂O₂

SMILES:

Clc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)-c1oc2c(n1)cc(cc2)CC

InChI:

InChI=1/C22H16Cl2N2O2/c1-2-13-3-10-20-19(11-13)26-22(28-20)14-4-7-16(8-5-14)25-21(27)17-12-15(23)6-9-18(17)24/h3-12H,2H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9367 kcal/mol

Physical Properties
Molecular Weight: 411.288 g/mol	logS: -9.12826	SlogP: 6.61627	Reactive groups: 0

Topological Properties
Globularity: 0.010138	Sterimol/B1: 2.36278	Sterimol/B2: 3.69416	Sterimol/B3: 3.759
Sterimol/B4: 5.79369	Sterimol/L: 22.1071

Surface and Volume Properties
Accessible surface: 676.225	Positive charged surface: 327.832	Negative charged surface: 348.393	Volume: 366.125
Hydrophobic surface: 586.714	Hydrophilic surface: 89.511

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.