MMsINC Database Search


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MMsINC code: MMs01956540

Type: Neutral
Formula: C₂₁H₁₅FN₂O₃

SMILES:

Fc1ccccc1Oc1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

InChI=1/C21H15FN2O3/c1-26-18-12-6-8-14(19(18)25)20-23-16-10-4-2-7-13(16)21(24-20)27-17-11-5-3-9-15(17)22/h2-12,25H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.009 kcal/mol

Physical Properties
Molecular Weight: 362.36 g/mol	logS: -6.89746	SlogP: 4.9424	Reactive groups: 0

Topological Properties
Globularity: 0.0358735	Sterimol/B1: 2.43752	Sterimol/B2: 3.6783	Sterimol/B3: 5.23858
Sterimol/B4: 7.69904	Sterimol/L: 15.5651

Surface and Volume Properties
Accessible surface: 583.68	Positive charged surface: 351.501	Negative charged surface: 223.012	Volume: 327.25
Hydrophobic surface: 524.343	Hydrophilic surface: 59.337

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.