MMsINC Database Search


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MMsINC code: MMs00496373

Type: Neutral
Formula: C₂₀H₂₁FN₂O

SMILES:

Fc1c2c([nH]c(C)c2CCNC(=O)c2ccccc2C)c(cc1)C

InChI:

InChI=1/C20H21FN2O/c1-12-6-4-5-7-15(12)20(24)22-11-10-16-14(3)23-19-13(2)8-9-17(21)18(16)19/h4-9,23H,10-11H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0445 kcal/mol

Physical Properties
Molecular Weight: 324.399 g/mol	logS: -4.89304	SlogP: 4.20473	Reactive groups: 0

Topological Properties
Globularity: 0.0806082	Sterimol/B1: 2.21656	Sterimol/B2: 3.85729	Sterimol/B3: 6.31497
Sterimol/B4: 6.3895	Sterimol/L: 17.8934

Surface and Volume Properties
Accessible surface: 589.64	Positive charged surface: 355.244	Negative charged surface: 230.03	Volume: 322.125
Hydrophobic surface: 536.097	Hydrophilic surface: 53.543

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.