MMsINC Database Search


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MMsINC code: MMs00123202

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1cc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CC)ccc1

InChI:

InChI=1/C18H15FN2O3/c1-2-21-14-9-4-3-8-13(14)16(22)15(18(21)24)17(23)20-12-7-5-6-11(19)10-12/h3-10,22H,2H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5474 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -4.41149	SlogP: 3.1	Reactive groups: 0

Topological Properties
Globularity: 0.019878	Sterimol/B1: 2.08289	Sterimol/B2: 2.30402	Sterimol/B3: 3.39313
Sterimol/B4: 8.04632	Sterimol/L: 16.1401

Surface and Volume Properties
Accessible surface: 538.041	Positive charged surface: 298.137	Negative charged surface: 239.904	Volume: 291.25
Hydrophobic surface: 428.654	Hydrophilic surface: 109.387

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.