MMsINC Database Search


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MMsINC code: MMs01210217

Type: Neutral
Formula: C₂₁H₂₁FN₂O

SMILES:

Fc1ccc(cc1)Cn1c(C(=O)Nc2cc(ccc2)C)c(cc1C)C

InChI:

InChI=1/C21H21FN2O/c1-14-5-4-6-19(11-14)23-21(25)20-15(2)12-16(3)24(20)13-17-7-9-18(22)10-8-17/h4-12H,13H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.724 kcal/mol

Physical Properties
Molecular Weight: 336.41 g/mol	logS: -4.85568	SlogP: 5.11946	Reactive groups: 0

Topological Properties
Globularity: 0.181425	Sterimol/B1: 2.41191	Sterimol/B2: 5.56314	Sterimol/B3: 5.91976
Sterimol/B4: 6.65527	Sterimol/L: 14.7547

Surface and Volume Properties
Accessible surface: 598.428	Positive charged surface: 337.414	Negative charged surface: 261.014	Volume: 337.375
Hydrophobic surface: 556.536	Hydrophilic surface: 41.892

Pharmacophoric Properties
Hydrogen bond donors: 1	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.