MMsINC Database Search


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MMsINC code: MMs00722360

Type: Neutral
Formula: C₁₉H₁₆F₅NO

SMILES:

Fc1c(C(=O)NC(C)c2cc3CCCCc3cc2)c(F)c(F)c(F)c1F

InChI:

InChI=1/C19H16F5NO/c1-9(11-7-6-10-4-2-3-5-12(10)8-11)25-19(26)13-14(20)16(22)18(24)17(23)15(13)21/h6-9H,2-5H2,1H3,(H,25,26)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2006 kcal/mol

Physical Properties
Molecular Weight: 369.333 g/mol	logS: -6.97726	SlogP: 4.84734	Reactive groups: 0

Topological Properties
Globularity: 0.0871466	Sterimol/B1: 2.1236	Sterimol/B2: 3.22249	Sterimol/B3: 4.34386
Sterimol/B4: 7.3024	Sterimol/L: 16.5815

Surface and Volume Properties
Accessible surface: 581.076	Positive charged surface: 298.259	Negative charged surface: 282.818	Volume: 307.875
Hydrophobic surface: 529.929	Hydrophilic surface: 51.147

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.