MMsINC Database Search


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MMsINC code: MMs02893791

Type: Neutral
Formula: C₁₆H₁₄F₃NO₄

SMILES:

FC(F)(F)c1ccc(Oc2ccc(OC(C(OC)=O)C)cc2)nc1

InChI:

InChI=1/C16H14F3NO4/c1-10(15(21)22-2)23-12-4-6-13(7-5-12)24-14-8-3-11(9-20-14)16(17,18)19/h3-10H,1-2H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2905 kcal/mol

Physical Properties
Molecular Weight: 341.285 g/mol	logS: -4.06302	SlogP: 4.1445	Reactive groups: 0

Topological Properties
Globularity: 0.0515829	Sterimol/B1: 2.28438	Sterimol/B2: 2.93997	Sterimol/B3: 5.11728
Sterimol/B4: 5.87053	Sterimol/L: 17.597

Surface and Volume Properties
Accessible surface: 578.103	Positive charged surface: 323.19	Negative charged surface: 254.913	Volume: 286.625
Hydrophobic surface: 401.326	Hydrophilic surface: 176.777

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.