MMsINC Database Search


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MMsINC code: MMs01176817

Type: Neutral
Formula: C₂₅H₂₀FNO₂

SMILES:

Fc1ccc(cc1)C(=O)N(C(c1ccccc1)c1ccccc1)Cc1occc1

InChI:

InChI=1/C25H20FNO2/c26-22-15-13-21(14-16-22)25(28)27(18-23-12-7-17-29-23)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,24H,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=247.665 kcal/mol

Physical Properties
Molecular Weight: 385.438 g/mol	logS: -6.77527	SlogP: 6.2126	Reactive groups: 0

Topological Properties
Globularity: 0.165966	Sterimol/B1: 2.33229	Sterimol/B2: 3.94003	Sterimol/B3: 4.02227
Sterimol/B4: 9.09453	Sterimol/L: 13.5571

Surface and Volume Properties
Accessible surface: 586.23	Positive charged surface: 322.46	Negative charged surface: 263.769	Volume: 363.875
Hydrophobic surface: 560.228	Hydrophilic surface: 26.002

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.