MMsINC Database Search


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MMsINC code: MMs00693950

Type: Neutral
Formula: C₂₁H₁₅FN₂O₂

SMILES:

Fc1cc(ccc1)-c1oc2c(n1)cc(NC(=O)Cc1ccccc1)cc2

InChI:

InChI=1/C21H15FN2O2/c22-16-8-4-7-15(12-16)21-24-18-13-17(9-10-19(18)26-21)23-20(25)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3435 kcal/mol

Physical Properties
Molecular Weight: 346.361 g/mol	logS: -7.02699	SlogP: 4.81507	Reactive groups: 0

Topological Properties
Globularity: 0.0325751	Sterimol/B1: 2.79302	Sterimol/B2: 3.34364	Sterimol/B3: 4.13883
Sterimol/B4: 8.21285	Sterimol/L: 17.7112

Surface and Volume Properties
Accessible surface: 611.156	Positive charged surface: 340.268	Negative charged surface: 270.888	Volume: 320.375
Hydrophobic surface: 536.445	Hydrophilic surface: 74.711

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.