MMsINC Database Search


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MMsINC code: MMs02118676

Type: Neutral
Formula: C₂₄H₁₇FN₂O₃

SMILES:

Fc1ccc(cc1)C(Oc1ccc(cc1)-c1nc(ccn1)-c1ccc(OC)cc1)=O

InChI:

InChI=1/C24H17FN2O3/c1-29-20-10-4-16(5-11-20)22-14-15-26-23(27-22)17-6-12-21(13-7-17)30-24(28)18-2-8-19(25)9-3-18/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.151 kcal/mol

Physical Properties
Molecular Weight: 400.409 g/mol	logS: -7.828	SlogP: 5.1775	Reactive groups: 0

Topological Properties
Globularity: 0.0183289	Sterimol/B1: 2.63783	Sterimol/B2: 3.52927	Sterimol/B3: 3.66822
Sterimol/B4: 7.94868	Sterimol/L: 22.9852

Surface and Volume Properties
Accessible surface: 671.115	Positive charged surface: 383.483	Negative charged surface: 279.533	Volume: 373.5
Hydrophobic surface: 606.949	Hydrophilic surface: 64.166

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.