MMsINC Database Search


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MMsINC code: MMs00588943

Type: Neutral
Formula: C₁₁H₆Cl₃NO₃

SMILES:

ClC1=C(Cl)C(=O)N(C1=O)c1cc(Cl)ccc1OC

InChI:

InChI=1/C11H6Cl3NO3/c1-18-7-3-2-5(12)4-6(7)15-10(16)8(13)9(14)11(15)17/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5932 kcal/mol

Physical Properties
Molecular Weight: 306.532 g/mol	logS: -4.96928	SlogP: 3.1288	Reactive groups: 1

Topological Properties
Globularity: 0.141106	Sterimol/B1: 2.4637	Sterimol/B2: 3.99117	Sterimol/B3: 3.99516
Sterimol/B4: 8.62368	Sterimol/L: 12.1974

Surface and Volume Properties
Accessible surface: 473.52	Positive charged surface: 169.731	Negative charged surface: 303.789	Volume: 231.625
Hydrophobic surface: 397.452	Hydrophilic surface: 76.068

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.