MMsINC Database Search


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MMsINC code: MMs02548396

Type: Neutral
Formula: C₁₉H₁₃BrF₂O

SMILES:

Brc1ccc(cc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1

InChI:

InChI=1/C19H13BrF2O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.819 kcal/mol

Physical Properties
Molecular Weight: 375.212 g/mol	logS: -6.37205	SlogP: 5.323	Reactive groups: 0

Topological Properties
Globularity: 0.394807	Sterimol/B1: 3.0767	Sterimol/B2: 4.28509	Sterimol/B3: 4.94851
Sterimol/B4: 7.47008	Sterimol/L: 13.111

Surface and Volume Properties
Accessible surface: 539.915	Positive charged surface: 217.117	Negative charged surface: 322.798	Volume: 302.375
Hydrophobic surface: 518.604	Hydrophilic surface: 21.311

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.