MMsINC Database Search


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MMsINC code: MMs01215775

Type: Neutral
Formula: C₁₄H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)\N=C(/OC(C)C)\NC(C)C

InChI:

InChI=1/C14H19FN2O2/c1-9(2)16-14(19-10(3)4)17-13(18)11-7-5-6-8-12(11)15/h5-10H,1-4H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.154 kcal/mol

Physical Properties
Molecular Weight: 266.316 g/mol	logS: -3.69373	SlogP: 2.7449	Reactive groups: 0

Topological Properties
Globularity: 0.149195	Sterimol/B1: 3.22411	Sterimol/B2: 3.25481	Sterimol/B3: 4.10559
Sterimol/B4: 7.6472	Sterimol/L: 13.0013

Surface and Volume Properties
Accessible surface: 526.248	Positive charged surface: 322.403	Negative charged surface: 203.845	Volume: 265.625
Hydrophobic surface: 407.371	Hydrophilic surface: 118.877

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.