MMsINC Database Search


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MMsINC code: MMs02736045

Type: Neutral
Formula: C₂₃H₁₇FN₂O₃

SMILES:

Fc1cc(ccc1)C(Oc1n(nc(c1)-c1ccccc1)-c1ccc(OC)cc1)=O

InChI:

InChI=1/C23H17FN2O3/c1-28-20-12-10-19(11-13-20)26-22(15-21(25-26)16-6-3-2-4-7-16)29-23(27)17-8-5-9-18(24)14-17/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.086 kcal/mol

Physical Properties
Molecular Weight: 388.398 g/mol	logS: -6.70465	SlogP: 4.9062	Reactive groups: 0

Topological Properties
Globularity: 0.0202133	Sterimol/B1: 2.25061	Sterimol/B2: 2.53967	Sterimol/B3: 3.51815
Sterimol/B4: 12.2249	Sterimol/L: 16.5569

Surface and Volume Properties
Accessible surface: 664.872	Positive charged surface: 355.184	Negative charged surface: 309.687	Volume: 361.5
Hydrophobic surface: 609.098	Hydrophilic surface: 55.774

Pharmacophoric Properties
Hydrogen bond donors: 0	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.