MMsINC Database Search


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MMsINC code: MMs00971200

Type: Neutral
Formula: C₂₄H₁₆FNO₄

SMILES:

Fc1ccc(cc1)C(=O)C1=CN(c2c(cc3OCOc3c2)C1=O)Cc1ccccc1

InChI:

InChI=1/C24H16FNO4/c25-17-8-6-16(7-9-17)23(27)19-13-26(12-15-4-2-1-3-5-15)20-11-22-21(29-14-30-22)10-18(20)24(19)28/h1-11,13H,12,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.765 kcal/mol

Physical Properties
Molecular Weight: 401.393 g/mol	logS: -6.16543	SlogP: 4.7905	Reactive groups: 1

Topological Properties
Globularity: 0.0684936	Sterimol/B1: 2.56554	Sterimol/B2: 3.06347	Sterimol/B3: 4.53356
Sterimol/B4: 10.3034	Sterimol/L: 16.1258

Surface and Volume Properties
Accessible surface: 630.859	Positive charged surface: 334.358	Negative charged surface: 296.501	Volume: 362.125
Hydrophobic surface: 506.478	Hydrophilic surface: 124.381

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.