MMsINC Database Search


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MMsINC code: MMs02833267

Type: Neutral
Formula: C₁₆H₉Cl₃N₂O₃

SMILES:

ClC1=C(Nc2ccccc2O)C(=O)N(C1=O)c1ccc(Cl)cc1Cl

InChI:

InChI=1/C16H9Cl3N2O3/c17-8-5-6-11(9(18)7-8)21-15(23)13(19)14(16(21)24)20-10-3-1-2-4-12(10)22/h1-7,20,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.622 kcal/mol

Physical Properties
Molecular Weight: 383.618 g/mol	logS: -6.11676	SlogP: 4.2436	Reactive groups: 1

Topological Properties
Globularity: 0.0868954	Sterimol/B1: 2.40803	Sterimol/B2: 3.86286	Sterimol/B3: 3.95264
Sterimol/B4: 7.31398	Sterimol/L: 16.114

Surface and Volume Properties
Accessible surface: 560.142	Positive charged surface: 200.324	Negative charged surface: 359.818	Volume: 303.625
Hydrophobic surface: 438.896	Hydrophilic surface: 121.246

Pharmacophoric Properties
Hydrogen bond donors: 2	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.