MMsINC Database Search


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MMsINC code: MMs01210648

Type: Neutral
Formula: C₁₈H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)Cn1c(C(=O)N2CCOCC2)c(cc1C)C

InChI:

InChI=1/C18H21FN2O2/c1-13-11-14(2)21(12-15-3-5-16(19)6-4-15)17(13)18(22)20-7-9-23-10-8-20/h3-6,11H,7-10,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4576 kcal/mol

Physical Properties
Molecular Weight: 316.376 g/mol	logS: -2.74339	SlogP: 3.03114	Reactive groups: 0

Topological Properties
Globularity: 0.182045	Sterimol/B1: 2.20206	Sterimol/B2: 3.21279	Sterimol/B3: 6.01378
Sterimol/B4: 6.96126	Sterimol/L: 13.8635

Surface and Volume Properties
Accessible surface: 537.461	Positive charged surface: 347.743	Negative charged surface: 189.717	Volume: 308.875
Hydrophobic surface: 497.982	Hydrophilic surface: 39.479

Pharmacophoric Properties
Hydrogen bond donors: 0	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.