MMsINC Database Search


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MMsINC code: MMs01356241

Type: Neutral
Formula: C₁₇H₁₂F₂N₂O₃

SMILES:

Fc1ccc(F)cc1NC(=O)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C17H12F2N2O3/c18-10-5-6-13(19)14(9-10)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0344 kcal/mol

Physical Properties
Molecular Weight: 330.29 g/mol	logS: -4.40304	SlogP: 2.5896	Reactive groups: 0

Topological Properties
Globularity: 0.0373138	Sterimol/B1: 2.28366	Sterimol/B2: 3.68958	Sterimol/B3: 4.13815
Sterimol/B4: 4.23193	Sterimol/L: 18.1003

Surface and Volume Properties
Accessible surface: 545.792	Positive charged surface: 277.161	Negative charged surface: 268.631	Volume: 283.375
Hydrophobic surface: 429.891	Hydrophilic surface: 115.901

Pharmacophoric Properties
Hydrogen bond donors: 1	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.