MMsINC Database Search


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MMsINC code: MMs00601317

Type: Neutral
Formula: C₁₇H₁₅FN₂O

SMILES:

Fc1ccccc1C(=O)NCCc1c2c([nH]c1)cccc2

InChI:

InChI=1/C17H15FN2O/c18-15-7-3-1-6-14(15)17(21)19-10-9-12-11-20-16-8-4-2-5-13(12)16/h1-8,11,20H,9-10H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2693 kcal/mol

Physical Properties
Molecular Weight: 282.318 g/mol	logS: -3.94526	SlogP: 3.27947	Reactive groups: 0

Topological Properties
Globularity: 0.0614556	Sterimol/B1: 2.5277	Sterimol/B2: 3.30501	Sterimol/B3: 4.55312
Sterimol/B4: 6.76464	Sterimol/L: 16.9158

Surface and Volume Properties
Accessible surface: 525.818	Positive charged surface: 293.493	Negative charged surface: 227.605	Volume: 271.75
Hydrophobic surface: 437.812	Hydrophilic surface: 88.006

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.