MMsINC Database Search


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MMsINC code: MMs00571580

Type: Neutral
Formula: C₂₄H₂₂FNO₄

SMILES:

Fc1ccc(cc1)Cn1c2c(cc(O)c3c2cccc3)c(C(OCCOC)=O)c1C

InChI:

InChI=1/C24H22FNO4/c1-15-22(24(28)30-12-11-29-2)20-13-21(27)18-5-3-4-6-19(18)23(20)26(15)14-16-7-9-17(25)10-8-16/h3-10,13,27H,11-12,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.954 kcal/mol

Physical Properties
Molecular Weight: 407.441 g/mol	logS: -5.98536	SlogP: 5.06552	Reactive groups: 0

Topological Properties
Globularity: 0.156335	Sterimol/B1: 2.15359	Sterimol/B2: 5.21676	Sterimol/B3: 6.51592
Sterimol/B4: 8.04022	Sterimol/L: 16.1357

Surface and Volume Properties
Accessible surface: 664.771	Positive charged surface: 402.114	Negative charged surface: 250.044	Volume: 382
Hydrophobic surface: 567.246	Hydrophilic surface: 97.525

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.