MMsINC Database Search


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MMsINC code: MMs02195932

Type: Neutral
Formula: C₂₁H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1oc2c(n1)cc(OC)cc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5704 kcal/mol

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

Topological Properties
Globularity: 0.00628933	Sterimol/B1: 2.53391	Sterimol/B2: 2.70131	Sterimol/B3: 3.98414
Sterimol/B4: 4.13477	Sterimol/L: 22.7192

Surface and Volume Properties
Accessible surface: 619.007	Positive charged surface: 357.21	Negative charged surface: 261.797	Volume: 329.875
Hydrophobic surface: 532.289	Hydrophilic surface: 86.718

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.