MMsINC Database Search


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MMsINC code: MMs01125150

Type: Neutral
Formula: C₂₃H₂₃FN₂O₃

SMILES:

Fc1ccc(NC(=O)CCN(C(=O)c2cc(oc2C)C)Cc2ccccc2)cc1

InChI:

InChI=1/C23H23FN2O3/c1-16-14-21(17(2)29-16)23(28)26(15-18-6-4-3-5-7-18)13-12-22(27)25-20-10-8-19(24)9-11-20/h3-11,14H,12-13,15H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.536 kcal/mol

Physical Properties
Molecular Weight: 394.446 g/mol	logS: -5.59168	SlogP: 4.97314	Reactive groups: 0

Topological Properties
Globularity: 0.0887678	Sterimol/B1: 2.54849	Sterimol/B2: 2.92606	Sterimol/B3: 5.44585
Sterimol/B4: 9.10353	Sterimol/L: 17.586

Surface and Volume Properties
Accessible surface: 666.642	Positive charged surface: 374.169	Negative charged surface: 292.473	Volume: 378.375
Hydrophobic surface: 597.421	Hydrophilic surface: 69.221

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.