MMsINC Database Search


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MMsINC code: MMs00908834

Type: Neutral
Formula: C₂₃H₁₈Cl₂N₂O

SMILES:

Clc1ccccc1C1=NCC(=O)N(c2c1cc(Cl)cc2)Cc1ccc(cc1)C

InChI:

InChI=1/C23H18Cl2N2O/c1-15-6-8-16(9-7-15)14-27-21-11-10-17(24)12-19(21)23(26-13-22(27)28)18-4-2-3-5-20(18)25/h2-12H,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.289 kcal/mol

Physical Properties
Molecular Weight: 409.316 g/mol	logS: -7.5078	SlogP: 5.95242	Reactive groups: 0

Topological Properties
Globularity: 0.360139	Sterimol/B1: 3.40927	Sterimol/B2: 5.37475	Sterimol/B3: 5.6167
Sterimol/B4: 7.87268	Sterimol/L: 13.2099

Surface and Volume Properties
Accessible surface: 597.766	Positive charged surface: 325.485	Negative charged surface: 272.281	Volume: 373.625
Hydrophobic surface: 550.655	Hydrophilic surface: 47.111

Pharmacophoric Properties
Hydrogen bond donors: 0	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.