MMsINC Database Search


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MMsINC code: MMs00650810

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1ccccc1NC(=O)c1cc(nc2c1cccc2)-c1ccc(OC)cc1OC

InChI:

InChI=1/C24H19FN2O3/c1-29-15-11-12-17(23(13-15)30-2)22-14-18(16-7-3-5-9-20(16)26-22)24(28)27-21-10-6-4-8-19(21)25/h3-14H,1-2H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.983 kcal/mol

Physical Properties
Molecular Weight: 402.425 g/mol	logS: -6.73433	SlogP: 5.3104	Reactive groups: 0

Topological Properties
Globularity: 0.0124234	Sterimol/B1: 2.03931	Sterimol/B2: 2.71444	Sterimol/B3: 2.78839
Sterimol/B4: 11.8463	Sterimol/L: 16.9287

Surface and Volume Properties
Accessible surface: 666.013	Positive charged surface: 407.52	Negative charged surface: 246.833	Volume: 373.375
Hydrophobic surface: 608.445	Hydrophilic surface: 57.568

Pharmacophoric Properties
Hydrogen bond donors: 1	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.