MMsINC Database Search


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MMsINC code: MMs01751201

Type: Neutral
Formula: C₁₉H₁₇FN₂O

SMILES:

Fc1cc2c(nc(cc2C(=O)NCCc2ccccc2)C)cc1

InChI:

InChI=1/C19H17FN2O/c1-13-11-17(16-12-15(20)7-8-18(16)22-13)19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8676 kcal/mol

Physical Properties
Molecular Weight: 308.356 g/mol	logS: -4.55729	SlogP: 3.65479	Reactive groups: 0

Topological Properties
Globularity: 0.0393905	Sterimol/B1: 1.9852	Sterimol/B2: 3.60639	Sterimol/B3: 3.6768
Sterimol/B4: 9.21879	Sterimol/L: 17.2807

Surface and Volume Properties
Accessible surface: 563.153	Positive charged surface: 319.304	Negative charged surface: 238.807	Volume: 299
Hydrophobic surface: 512.227	Hydrophilic surface: 50.926

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.