MMsINC Database Search


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MMsINC code: MMs00405258

Type: Neutral
Formula: C₂₃H₂₃FN₂O₃

SMILES:

Fc1ccc(N(C(C(=O)NC(C)(C)C)c2ccccc2)C(=O)c2occc2)cc1

InChI:

InChI=1/C23H23FN2O3/c1-23(2,3)25-21(27)20(16-8-5-4-6-9-16)26(18-13-11-17(24)12-14-18)22(28)19-10-7-15-29-19/h4-15,20H,1-3H3,(H,25,27)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=196.351 kcal/mol

Physical Properties
Molecular Weight: 394.446 g/mol	logS: -6.21753	SlogP: 4.817	Reactive groups: 0

Topological Properties
Globularity: 0.528769	Sterimol/B1: 3.54977	Sterimol/B2: 6.24476	Sterimol/B3: 7.17481
Sterimol/B4: 7.57393	Sterimol/L: 13.008

Surface and Volume Properties
Accessible surface: 630.035	Positive charged surface: 344.326	Negative charged surface: 285.709	Volume: 373.75
Hydrophobic surface: 546.553	Hydrophilic surface: 83.482

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.