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MMsINC code: MMs01195019

Type: Neutral
Formula: C₂₄H₁₉FNO₃-

SMILES:

Fc1ccccc1COc1c2cc(n(c2ccc1)Cc1ccccc1C)C(=O)[O-]

InChI:

InChI=1/C24H20FNO3/c1-16-7-2-3-8-17(16)14-26-21-11-6-12-23(19(21)13-22(26)24(27)28)29-15-18-9-4-5-10-20(18)25/h2-13H,14-15H2,1H3,(H,27,28)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7936 kcal/mol

Physical Properties
Molecular Weight: 388.418 g/mol	logS: -6.30664	SlogP: 4.61242	Reactive groups: 0

Topological Properties
Globularity: 0.0699949	Sterimol/B1: 2.35431	Sterimol/B2: 3.79354	Sterimol/B3: 5.90543
Sterimol/B4: 7.27221	Sterimol/L: 18.1333

Surface and Volume Properties
Accessible surface: 644.867	Positive charged surface: 319.771	Negative charged surface: 319.657	Volume: 372.125
Hydrophobic surface: 557.151	Hydrophilic surface: 87.716

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

MMs01195020
COMGENEX-ZINC06724388