MMsINC Database Search


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MMsINC code: MMs02610460

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)-c1cnc(Oc2cc(OC)cc(OC)c2)nc1

InChI:

InChI=1/C18H15FN2O3/c1-22-15-7-16(23-2)9-17(8-15)24-18-20-10-13(11-21-18)12-3-5-14(19)6-4-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6464 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -5.49431	SlogP: 4.0922	Reactive groups: 0

Topological Properties
Globularity: 0.0901901	Sterimol/B1: 2.51485	Sterimol/B2: 3.76933	Sterimol/B3: 4.47625
Sterimol/B4: 8.83046	Sterimol/L: 16.3318

Surface and Volume Properties
Accessible surface: 576.436	Positive charged surface: 376.695	Negative charged surface: 187.837	Volume: 299.125
Hydrophobic surface: 525.804	Hydrophilic surface: 50.632

Pharmacophoric Properties
Hydrogen bond donors: 0	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.