MMsINC Database Search


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MMsINC code: MMs01263863

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C1(NC(=O)N(Cc2ccccc2)C1=O)CC

InChI:

InChI=1/C18H17FN2O2/c1-2-18(14-8-10-15(19)11-9-14)16(22)21(17(23)20-18)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6546 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -4.39425	SlogP: 3.7609	Reactive groups: 0

Topological Properties
Globularity: 0.131423	Sterimol/B1: 2.45281	Sterimol/B2: 2.53333	Sterimol/B3: 5.16845
Sterimol/B4: 6.20649	Sterimol/L: 15.6693

Surface and Volume Properties
Accessible surface: 525.726	Positive charged surface: 283.382	Negative charged surface: 242.343	Volume: 293.75
Hydrophobic surface: 429.331	Hydrophilic surface: 96.395

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.