MMsINC Database Search


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MMsINC code: MMs00639456

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1ccc(NC(=O)c2cc(nc3c2cccc3)-c2cc(OC)c(OC)cc2)cc1

InChI:

InChI=1/C24H19FN2O3/c1-29-22-12-7-15(13-23(22)30-2)21-14-19(18-5-3-4-6-20(18)27-21)24(28)26-17-10-8-16(25)9-11-17/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)=140.951 kcal/mol

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

Topological Properties
Globularity: 0.0122062	Sterimol/B1: 2.02794	Sterimol/B2: 2.57301	Sterimol/B3: 2.94192
Sterimol/B4: 11.7816	Sterimol/L: 18.0478

Surface and Volume Properties
Accessible surface: 683.8	Positive charged surface: 414.879	Negative charged surface: 257.548	Volume: 374.375
Hydrophobic surface: 615.769	Hydrophilic surface: 68.031

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.