MMsINC Database Search


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MMsINC code: MMs02726259

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1cc(NC(=O)c2cc(nc3c2cccc3)-c2cc(OC)ccc2OC)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.781 kcal/mol

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

Topological Properties
Globularity: 0.016236	Sterimol/B1: 2.52729	Sterimol/B2: 2.62116	Sterimol/B3: 3.09611
Sterimol/B4: 12.3927	Sterimol/L: 16.4914

Surface and Volume Properties
Accessible surface: 673.422	Positive charged surface: 406.334	Negative charged surface: 254.914	Volume: 375.625
Hydrophobic surface: 614.439	Hydrophilic surface: 58.983

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.