MMsINC Database Search


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MMsINC code: MMs02640322

Type: Neutral
Formula: C₁₅H₉BrClNO

SMILES:

Brc1cc\2c(NC(=O)/C/2=C/c2ccccc2Cl)cc1

InChI:

InChI=1/C15H9BrClNO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-8H,(H,18,19)/b12-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3885 kcal/mol

Physical Properties
Molecular Weight: 334.6 g/mol	logS: -5.81736	SlogP: 4.5952	Reactive groups: 0

Topological Properties
Globularity: 0.079861	Sterimol/B1: 2.16514	Sterimol/B2: 4.89249	Sterimol/B3: 4.96167
Sterimol/B4: 6.40803	Sterimol/L: 12.0696

Surface and Volume Properties
Accessible surface: 473.43	Positive charged surface: 188.829	Negative charged surface: 284.6	Volume: 259.5
Hydrophobic surface: 393.555	Hydrophilic surface: 79.875

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.