MMsINC Database Search


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MMsINC code: MMs01156764

Type: Neutral
Formula: C₂₄H₁₉FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)NCc1c2c(ccnc2)c(cc1)-c1cc(OC)ccc1

InChI:

InChI=1/C24H19FN2O2/c1-29-20-7-3-4-16(13-20)21-9-8-18(23-15-26-11-10-22(21)23)14-27-24(28)17-5-2-6-19(25)12-17/h2-13,15H,14H2,1H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.359 kcal/mol

Physical Properties
Molecular Weight: 386.426 g/mol	logS: -6.69039	SlogP: 5.2459	Reactive groups: 0

Topological Properties
Globularity: 0.0795125	Sterimol/B1: 3.05301	Sterimol/B2: 3.52446	Sterimol/B3: 5.15251
Sterimol/B4: 5.77988	Sterimol/L: 20.3269

Surface and Volume Properties
Accessible surface: 658.38	Positive charged surface: 394.713	Negative charged surface: 250.514	Volume: 367
Hydrophobic surface: 588.28	Hydrophilic surface: 70.1

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.