MMsINC Database Search


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MMsINC code: MMs02230879

Type: Neutral
Formula: C₁₀H₇F₆IO

SMILES:

Ic1ccc(cc1C(O)(C(F)(F)F)C(F)(F)F)C

InChI:

InChI=1/C10H7F6IO/c1-5-2-3-7(17)6(4-5)8(18,9(11,12)13)10(14,15)16/h2-4,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.179 kcal/mol

Physical Properties
Molecular Weight: 384.057 g/mol	logS: -4.78732	SlogP: 5.06312	Reactive groups: 0

Topological Properties
Globularity: 0.159585	Sterimol/B1: 2.53389	Sterimol/B2: 3.52354	Sterimol/B3: 3.53618
Sterimol/B4: 6.75455	Sterimol/L: 10.6992

Surface and Volume Properties
Accessible surface: 407.491	Positive charged surface: 124.18	Negative charged surface: 283.311	Volume: 213.625
Hydrophobic surface: 234.909	Hydrophilic surface: 172.582

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.