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MMsINC code: MMs02699659

Type: Neutral
Formula: C₁₅H₁₃BrN₂O₃

SMILES:

Brc1cc(ccc1OC)C(=O)N\N=C\c1cc(O)ccc1

InChI:

InChI=1/C15H13BrN2O3/c1-21-14-6-5-11(8-13(14)16)15(20)18-17-9-10-3-2-4-12(19)7-10/h2-9,19H,1H3,(H,18,20)/b17-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3664 kcal/mol

Physical Properties
Molecular Weight: 349.184 g/mol	logS: -4.31697	SlogP: 2.9272	Reactive groups: 0

Topological Properties
Globularity: 0.00277168	Sterimol/B1: 2.35903	Sterimol/B2: 2.3907	Sterimol/B3: 4.10563
Sterimol/B4: 5.55234	Sterimol/L: 18.663

Surface and Volume Properties
Accessible surface: 565.599	Positive charged surface: 307.724	Negative charged surface: 257.875	Volume: 284.5
Hydrophobic surface: 435.736	Hydrophilic surface: 129.863

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02699660
PUBCHEM-ZINC00524959