MMsINC Database Search


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MMsINC code: MMs00779064

Type: Neutral
Formula: C₂₃H₂₇FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C23H27FN2O4/c1-29-20-8-3-16(15-21(20)30-2)9-12-25-22(27)17-10-13-26(14-11-17)23(28)18-4-6-19(24)7-5-18/h3-8,15,17H,9-14H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.409 kcal/mol

Physical Properties
Molecular Weight: 414.477 g/mol	logS: -4.13156	SlogP: 3.05397	Reactive groups: 0

Topological Properties
Globularity: 0.0481207	Sterimol/B1: 2.53258	Sterimol/B2: 2.61923	Sterimol/B3: 5.42637
Sterimol/B4: 7.25206	Sterimol/L: 20.5356

Surface and Volume Properties
Accessible surface: 725.652	Positive charged surface: 510.383	Negative charged surface: 215.269	Volume: 394.375
Hydrophobic surface: 637.53	Hydrophilic surface: 88.122

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.