MMsINC Database Search


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MMsINC code: MMs01142367

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)\N=C(/OCC)\NC(C)c1ccccc1

InChI:

InChI=1/C18H19FN2O2/c1-3-23-18(20-13(2)14-7-5-4-6-8-14)21-17(22)15-9-11-16(19)12-10-15/h4-13H,3H2,1-2H3,(H,20,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1661 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -4.80721	SlogP: 3.8047	Reactive groups: 0

Topological Properties
Globularity: 0.0857234	Sterimol/B1: 2.19362	Sterimol/B2: 3.26627	Sterimol/B3: 4.18735
Sterimol/B4: 10.3344	Sterimol/L: 15.4762

Surface and Volume Properties
Accessible surface: 584.189	Positive charged surface: 335.615	Negative charged surface: 248.574	Volume: 307.125
Hydrophobic surface: 502.026	Hydrophilic surface: 82.163

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.