MMsINC Database Search


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MMsINC code: MMs00618237

Type: Neutral
Formula: C₂₁H₁₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1C)-c1oc2c(n1)cccc2

InChI:

InChI=1/C21H15FN2O2/c1-13-10-11-14(21-24-17-8-4-5-9-19(17)26-21)12-18(13)23-20(25)15-6-2-3-7-16(15)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)=92.6875 kcal/mol

Physical Properties
Molecular Weight: 346.361 g/mol	logS: -7.12599	SlogP: 5.19462	Reactive groups: 0

Topological Properties
Globularity: 0.010321	Sterimol/B1: 2.38769	Sterimol/B2: 2.52013	Sterimol/B3: 2.81808
Sterimol/B4: 9.29793	Sterimol/L: 17.8432

Surface and Volume Properties
Accessible surface: 602.542	Positive charged surface: 322.348	Negative charged surface: 280.194	Volume: 321
Hydrophobic surface: 536.711	Hydrophilic surface: 65.831

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.