MMsINC Database Search


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MMsINC code: MMs01004821

Type: Neutral
Formula: C₂₄H₁₆FNO₄

SMILES:

Fc1cc2c(N(C=C(C(=O)c3cc4OCOc4cc3)C2=O)Cc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.399 kcal/mol

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

Topological Properties
Globularity: 0.13357	Sterimol/B1: 2.48355	Sterimol/B2: 2.78659	Sterimol/B3: 5.90092
Sterimol/B4: 9.85884	Sterimol/L: 15.878

Surface and Volume Properties
Accessible surface: 633.422	Positive charged surface: 340.225	Negative charged surface: 293.196	Volume: 360.375
Hydrophobic surface: 509.027	Hydrophilic surface: 124.395

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.