MMsINC Database Search


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MMsINC code: MMs01958617

Type: Neutral
Formula: C₂₅H₁₅FN₂O₂

SMILES:

Fc1cc(ccc1)COc1cc2c3c4n(c2cc1)C(=O)c1c(-c4ncc3)cccc1

InChI:

InChI=1/C25H15FN2O2/c26-16-5-3-4-15(12-16)14-30-17-8-9-22-21(13-17)19-10-11-27-23-18-6-1-2-7-20(18)25(29)28(22)24(19)23/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.859 kcal/mol

Physical Properties
Molecular Weight: 394.405 g/mol	logS: -7.17548	SlogP: 5.8429	Reactive groups: 0

Topological Properties
Globularity: 0.0231195	Sterimol/B1: 3.64952	Sterimol/B2: 3.8331	Sterimol/B3: 4.2091
Sterimol/B4: 6.39935	Sterimol/L: 20.5246

Surface and Volume Properties
Accessible surface: 638.383	Positive charged surface: 326.39	Negative charged surface: 294.489	Volume: 357.5
Hydrophobic surface: 579.839	Hydrophilic surface: 58.544

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.