MMsINC Database Search


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MMsINC code: MMs00673525

Type: Neutral
Formula: C₁₈H₁₂F₄O₄

SMILES:

Fc1ccccc1OC=1C(=O)c2cc(CC)c(O)cc2OC=1C(F)(F)F

InChI:

InChI=1/C18H12F4O4/c1-2-9-7-10-14(8-12(9)23)26-17(18(20,21)22)16(15(10)24)25-13-6-4-3-5-11(13)19/h3-8,23H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5597 kcal/mol

Physical Properties
Molecular Weight: 368.282 g/mol	logS: -6.29104	SlogP: 4.94157	Reactive groups: 1

Topological Properties
Globularity: 0.079873	Sterimol/B1: 2.12675	Sterimol/B2: 3.31296	Sterimol/B3: 4.25676
Sterimol/B4: 7.1594	Sterimol/L: 15.2703

Surface and Volume Properties
Accessible surface: 554.227	Positive charged surface: 256.947	Negative charged surface: 297.28	Volume: 294.125
Hydrophobic surface: 370.469	Hydrophilic surface: 183.758

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.