MMsINC Database Search


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MMsINC code: MMs02916732

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₂

SMILES:

Clc1ccccc1OCc1ccc(cc1)C(=O)Nc1ncc(Cl)cc1

InChI:

InChI=1/C19H14Cl2N2O2/c20-15-9-10-18(22-11-15)23-19(24)14-7-5-13(6-8-14)12-25-17-4-2-1-3-16(17)21/h1-11H,12H2,(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6531 kcal/mol

Physical Properties
Molecular Weight: 373.239 g/mol	logS: -5.69485	SlogP: 5.4861	Reactive groups: 0

Topological Properties
Globularity: 0.0377712	Sterimol/B1: 2.3772	Sterimol/B2: 3.76072	Sterimol/B3: 4.20886
Sterimol/B4: 5.77176	Sterimol/L: 21.5137

Surface and Volume Properties
Accessible surface: 629.465	Positive charged surface: 296.03	Negative charged surface: 333.435	Volume: 329.375
Hydrophobic surface: 569.142	Hydrophilic surface: 60.323

Pharmacophoric Properties
Hydrogen bond donors: 1	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.