MMsINC Database Search


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MMsINC code: MMs00919678

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)-c1onc(c1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C18H15FN2O2/c1-21(12-13-5-3-2-4-6-13)18(22)16-11-17(23-20-16)14-7-9-15(19)10-8-14/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4565 kcal/mol

Physical Properties
Molecular Weight: 310.328 g/mol	logS: -4.68235	SlogP: 4.0193	Reactive groups: 0

Topological Properties
Globularity: 0.0549076	Sterimol/B1: 2.26879	Sterimol/B2: 3.69883	Sterimol/B3: 3.75625
Sterimol/B4: 6.97416	Sterimol/L: 17.1218

Surface and Volume Properties
Accessible surface: 544.251	Positive charged surface: 306.248	Negative charged surface: 238.004	Volume: 293
Hydrophobic surface: 492.048	Hydrophilic surface: 52.203

Pharmacophoric Properties
Hydrogen bond donors: 0	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.