MMsINC Database Search


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MMsINC code: MMs00863796

Type: Neutral
Formula: C₂₁H₁₅FN₂O₃

SMILES:

Fc1ccccc1C(=O)Nc1cc2nc(oc2cc1)-c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8255 kcal/mol

Physical Properties
Molecular Weight: 362.36 g/mol	logS: -7.0159	SlogP: 4.8948	Reactive groups: 0

Topological Properties
Globularity: 0.00866091	Sterimol/B1: 2.54179	Sterimol/B2: 2.93276	Sterimol/B3: 2.93944
Sterimol/B4: 6.36146	Sterimol/L: 21.7419

Surface and Volume Properties
Accessible surface: 625.46	Positive charged surface: 367.362	Negative charged surface: 258.097	Volume: 329
Hydrophobic surface: 540.292	Hydrophilic surface: 85.168

Pharmacophoric Properties
Hydrogen bond donors: 1	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.