MMsINC Database Search


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MMsINC code: MMs00397409

Type: Neutral
Formula: C₁₇H₁₂FNO₃

SMILES:

Fc1cc(ccc1)C(=O)n1cc(c2c1cccc2)C(OC)=O

InChI:

InChI=1/C17H12FNO3/c1-22-17(21)14-10-19(15-8-3-2-7-13(14)15)16(20)11-5-4-6-12(18)9-11/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3001 kcal/mol

Physical Properties
Molecular Weight: 297.285 g/mol	logS: -4.40071	SlogP: 3.2555	Reactive groups: 0

Topological Properties
Globularity: 0.118865	Sterimol/B1: 2.5534	Sterimol/B2: 4.31112	Sterimol/B3: 4.61897
Sterimol/B4: 8.39669	Sterimol/L: 14.4076

Surface and Volume Properties
Accessible surface: 509.178	Positive charged surface: 274.327	Negative charged surface: 231.347	Volume: 270.5
Hydrophobic surface: 429.789	Hydrophilic surface: 79.389

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.