MMsINC Database Search


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MMsINC code: MMs02718143

Type: Neutral
Formula: C₁₆H₉Cl₃N₂O₂

SMILES:

Clc1cc(Cl)c2c(nccc2)c1OC(=O)Nc1cc(Cl)ccc1

InChI:

InChI=1/C16H9Cl3N2O2/c17-9-3-1-4-10(7-9)21-16(22)23-15-13(19)8-12(18)11-5-2-6-20-14(11)15/h1-8H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.241 kcal/mol

Physical Properties
Molecular Weight: 367.619 g/mol	logS: -6.18753	SlogP: 5.8059	Reactive groups: 0

Topological Properties
Globularity: 0.0723133	Sterimol/B1: 2.45226	Sterimol/B2: 3.36011	Sterimol/B3: 4.62284
Sterimol/B4: 7.02008	Sterimol/L: 16.5409

Surface and Volume Properties
Accessible surface: 566.626	Positive charged surface: 225.135	Negative charged surface: 334.978	Volume: 294.125
Hydrophobic surface: 509.999	Hydrophilic surface: 56.627

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.