MMsINC Database Search


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MMsINC code: MMs00063676

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccccc1NC(=O)C(N1C(=O)c2c(cccc2)C1=O)C(C)C

InChI:

InChI=1/C19H17FN2O3/c1-11(2)16(17(23)21-15-10-6-5-9-14(15)20)22-18(24)12-7-3-4-8-13(12)19(22)25/h3-11,16H,1-2H3,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2049 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.95689	SlogP: 3.085	Reactive groups: 0

Topological Properties
Globularity: 0.10515	Sterimol/B1: 2.24816	Sterimol/B2: 3.1062	Sterimol/B3: 4.65774
Sterimol/B4: 7.83219	Sterimol/L: 15.8566

Surface and Volume Properties
Accessible surface: 563.388	Positive charged surface: 298.372	Negative charged surface: 265.016	Volume: 311.125
Hydrophobic surface: 450.324	Hydrophilic surface: 113.064

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.