MMsINC Database Search


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MMsINC code: MMs00609028

Type: Neutral
Formula: C₁₆H₁₁FO₅

SMILES:

Fc1ccc(OC=2C(=O)c3c(OC=2C)c(O)c(O)cc3)cc1

InChI:

InChI=1/C16H11FO5/c1-8-15(22-10-4-2-9(17)3-5-10)13(19)11-6-7-12(18)14(20)16(11)21-8/h2-7,18,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8477 kcal/mol

Physical Properties
Molecular Weight: 302.257 g/mol	logS: -4.17777	SlogP: 3.1225	Reactive groups: 1

Topological Properties
Globularity: 0.0917761	Sterimol/B1: 2.12016	Sterimol/B2: 3.29229	Sterimol/B3: 4.28847
Sterimol/B4: 6.86795	Sterimol/L: 15.0676

Surface and Volume Properties
Accessible surface: 498.823	Positive charged surface: 265.15	Negative charged surface: 233.673	Volume: 256.125
Hydrophobic surface: 370.131	Hydrophilic surface: 128.692

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.