MMsINC Database Search


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MMsINC code: MMs00842168

Type: Neutral
Formula: C₂₀H₂₇FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(C(C)C)C(=O)CN(C1=O)C1CCCCCC1

InChI:

InChI=1/C20H27FN2O2/c1-14(2)23-18(24)13-22(17-7-5-3-4-6-8-17)20(25)19(23)15-9-11-16(21)12-10-15/h9-12,14,17,19H,3-8,13H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.022 kcal/mol

Physical Properties
Molecular Weight: 346.446 g/mol	logS: -4.5762	SlogP: 3.7643	Reactive groups: 0

Topological Properties
Globularity: 0.13114	Sterimol/B1: 1.99742	Sterimol/B2: 3.31602	Sterimol/B3: 4.42218
Sterimol/B4: 9.47169	Sterimol/L: 14.2518

Surface and Volume Properties
Accessible surface: 572.845	Positive charged surface: 384.184	Negative charged surface: 188.66	Volume: 340.375
Hydrophobic surface: 494.881	Hydrophilic surface: 77.964

Pharmacophoric Properties
Hydrogen bond donors: 0	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.