MMsINC Database Search


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MMsINC code: MMs01938512

Type: Neutral
Formula: C₁₉H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)N1CCc2[nH]c3c(cc(OC)cc3)c2C1

InChI:

InChI=1/C19H17FN2O2/c1-24-14-6-7-17-15(10-14)16-11-22(9-8-18(16)21-17)19(23)12-2-4-13(20)5-3-12/h2-7,10,21H,8-9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5026 kcal/mol

Physical Properties
Molecular Weight: 324.355 g/mol	logS: -4.16497	SlogP: 3.78047	Reactive groups: 0

Topological Properties
Globularity: 0.0694994	Sterimol/B1: 3.32988	Sterimol/B2: 3.46373	Sterimol/B3: 3.53605
Sterimol/B4: 8.35924	Sterimol/L: 14.0673

Surface and Volume Properties
Accessible surface: 547.235	Positive charged surface: 349.987	Negative charged surface: 192.761	Volume: 301.125
Hydrophobic surface: 475.215	Hydrophilic surface: 72.02

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.