MMsINC Database Search


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MMsINC code: MMs00341312

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CC(=O)NCCc1c2cc(OC)ccc2[nH]c1

InChI:

InChI=1/C19H19FN2O2/c1-24-16-6-7-18-17(11-16)14(12-22-18)8-9-21-19(23)10-13-2-4-15(20)5-3-13/h2-7,11-12,22H,8-10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1158 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -4.05711	SlogP: 3.21694	Reactive groups: 0

Topological Properties
Globularity: 0.0518472	Sterimol/B1: 2.49816	Sterimol/B2: 3.41926	Sterimol/B3: 3.6408
Sterimol/B4: 8.61549	Sterimol/L: 17.4145

Surface and Volume Properties
Accessible surface: 608.023	Positive charged surface: 390.081	Negative charged surface: 213.078	Volume: 314.625
Hydrophobic surface: 506.342	Hydrophilic surface: 101.681

Pharmacophoric Properties
Hydrogen bond donors: 2	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.