MMsINC Database Search


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MMsINC code: MMs00183967

Type: Neutral
Formula: C₁₈H₁₃BrFNO₃

SMILES:

Brc1ccc(cc1)C(=O)C1C(N(C)C(=O)C1=O)c1ccc(F)cc1

InChI:

InChI=1/C18H13BrFNO3/c1-21-15(10-4-8-13(20)9-5-10)14(17(23)18(21)24)16(22)11-2-6-12(19)7-3-11/h2-9,14-15H,1H3/t14-,15+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7599 kcal/mol

Physical Properties
Molecular Weight: 390.208 g/mol	logS: -5.14631	SlogP: 3.265	Reactive groups: 0

Topological Properties
Globularity: 0.15507	Sterimol/B1: 3.02223	Sterimol/B2: 3.10807	Sterimol/B3: 4.31526
Sterimol/B4: 7.79306	Sterimol/L: 14.4276

Surface and Volume Properties
Accessible surface: 561.008	Positive charged surface: 239.766	Negative charged surface: 321.242	Volume: 308.375
Hydrophobic surface: 458.318	Hydrophilic surface: 102.69

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00183969 ASINEX-ZINC00827915	MMs00183968 ASINEX-ZINC00827915	MMs00183970 ASINEX-ZINC00827915
MMs00183971 ASINEX-ZINC00827915