MMsINC Database Search


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MMsINC code: MMs00430367

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccccc1Cn1c2c(n(cc2)C)cc1C(OC(C)C)=O

InChI:

InChI=1/C18H19FN2O2/c1-12(2)23-18(22)17-10-16-15(8-9-20(16)3)21(17)11-13-6-4-5-7-14(13)19/h4-10,12H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0098 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -3.12677	SlogP: 4.358	Reactive groups: 0

Topological Properties
Globularity: 0.10953	Sterimol/B1: 2.30062	Sterimol/B2: 3.03085	Sterimol/B3: 4.05808
Sterimol/B4: 9.2639	Sterimol/L: 14.1699

Surface and Volume Properties
Accessible surface: 536.215	Positive charged surface: 331.398	Negative charged surface: 204.817	Volume: 307.125
Hydrophobic surface: 433.122	Hydrophilic surface: 103.093

Pharmacophoric Properties
Hydrogen bond donors: 0	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.