MMsINC Database Search


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MMsINC code: MMs00843251

Type: Neutral
Formula: C₂₀H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C1N(Cc2ccc(cc2)C)C(=O)CC1

InChI:

InChI=1/C20H21FN2O2/c1-14-2-4-16(5-3-14)13-23-18(10-11-19(23)24)20(25)22-12-15-6-8-17(21)9-7-15/h2-9,18H,10-13H2,1H3,(H,22,25)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.006 kcal/mol

Physical Properties
Molecular Weight: 340.398 g/mol	logS: -4.36692	SlogP: 3.47432	Reactive groups: 0

Topological Properties
Globularity: 0.0765463	Sterimol/B1: 2.18323	Sterimol/B2: 2.87871	Sterimol/B3: 4.43154
Sterimol/B4: 9.29427	Sterimol/L: 16.2443

Surface and Volume Properties
Accessible surface: 612.429	Positive charged surface: 362.545	Negative charged surface: 249.883	Volume: 332.5
Hydrophobic surface: 536.446	Hydrophilic surface: 75.983

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.