MMsINC Database Search


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MMsINC code: MMs00835760

Type: Neutral
Formula: C₂₀H₁₃FN₂O₃

SMILES:

Fc1ccccc1C(=O)Nc1cc(O)c(cc1)-c1oc2c(n1)cccc2

InChI:

InChI=1/C20H13FN2O3/c21-15-6-2-1-5-13(15)19(25)22-12-9-10-14(17(24)11-12)20-23-16-7-3-4-8-18(16)26-20/h1-11,24H,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0137 kcal/mol

Physical Properties
Molecular Weight: 348.333 g/mol	logS: -6.60357	SlogP: 4.5918	Reactive groups: 0

Topological Properties
Globularity: 0.00679521	Sterimol/B1: 2.3593	Sterimol/B2: 2.86548	Sterimol/B3: 3.27009
Sterimol/B4: 5.18186	Sterimol/L: 20.1316

Surface and Volume Properties
Accessible surface: 580.979	Positive charged surface: 318.551	Negative charged surface: 262.427	Volume: 309.625
Hydrophobic surface: 472.858	Hydrophilic surface: 108.121

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.