MMsINC Database Search


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MMsINC code: MMs01216007

Type: Neutral
Formula: C₁₆H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)\N=C(/OCC)\NC1CCCCC1

InChI:

InChI=1/C16H21FN2O2/c1-2-21-16(18-14-6-4-3-5-7-14)19-15(20)12-8-10-13(17)11-9-12/h8-11,14H,2-7H2,1H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.8252 kcal/mol

Physical Properties
Molecular Weight: 292.354 g/mol	logS: -4.18324	SlogP: 3.2807	Reactive groups: 0

Topological Properties
Globularity: 0.08625	Sterimol/B1: 2.41077	Sterimol/B2: 3.23079	Sterimol/B3: 4.00002
Sterimol/B4: 8.83271	Sterimol/L: 15.5279

Surface and Volume Properties
Accessible surface: 559.165	Positive charged surface: 368.98	Negative charged surface: 190.185	Volume: 288.625
Hydrophobic surface: 491.183	Hydrophilic surface: 67.982

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.