MMsINC Database Search


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MMsINC code: MMs02897508

Type: Neutral
Formula: C₂₁H₂₀Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cc(C)c(cc1)C(C)C

InChI:

InChI=1/C21H20Cl2N2O2/c1-11(2)15-9-8-14(10-12(15)3)24-21(26)18-13(4)27-25-20(18)19-16(22)6-5-7-17(19)23/h5-11H,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.601 kcal/mol

Physical Properties
Molecular Weight: 403.309 g/mol	logS: -8.15665	SlogP: 6.64094	Reactive groups: 0

Topological Properties
Globularity: 0.105748	Sterimol/B1: 2.50624	Sterimol/B2: 4.01287	Sterimol/B3: 6.408
Sterimol/B4: 8.45216	Sterimol/L: 15.5436

Surface and Volume Properties
Accessible surface: 644.997	Positive charged surface: 317.183	Negative charged surface: 327.815	Volume: 368.875
Hydrophobic surface: 564.782	Hydrophilic surface: 80.215

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.