MMsINC Database Search


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MMsINC code: MMs01722947

Type: Neutral
Formula: C₂₄H₂₀FNO₂

SMILES:

Fc1cc(OC)ccc1C(=O)\C=C\c1cc2c3c(n(c2cc1)CC)cccc3

InChI:

InChI=1/C24H20FNO2/c1-3-26-22-7-5-4-6-18(22)20-14-16(8-12-23(20)26)9-13-24(27)19-11-10-17(28-2)15-21(19)25/h4-15H,3H2,1-2H3/b13-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7905 kcal/mol

Physical Properties
Molecular Weight: 373.427 g/mol	logS: -6.66667	SlogP: 6.1246	Reactive groups: 1

Topological Properties
Globularity: 0.00782094	Sterimol/B1: 2.04214	Sterimol/B2: 2.51933	Sterimol/B3: 3.42074
Sterimol/B4: 8.05162	Sterimol/L: 21.2047

Surface and Volume Properties
Accessible surface: 640.271	Positive charged surface: 362.224	Negative charged surface: 268.145	Volume: 363.75
Hydrophobic surface: 575.03	Hydrophilic surface: 65.241

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.