MMsINC Database Search


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MMsINC code: MMs00908250

Type: Neutral
Formula: C₁₅H₁₉FN₂O₂

SMILES:

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

InChI:

InChI=1/C15H19FN2O2/c1-10(2)18-13(7-8-14(18)19)15(20)17-9-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,20)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4229 kcal/mol

Physical Properties
Molecular Weight: 278.327 g/mol	logS: -2.77952	SlogP: 2.1077	Reactive groups: 0

Topological Properties
Globularity: 0.0852247	Sterimol/B1: 2.18676	Sterimol/B2: 2.55429	Sterimol/B3: 4.91946
Sterimol/B4: 6.12448	Sterimol/L: 15.3128

Surface and Volume Properties
Accessible surface: 518.231	Positive charged surface: 327.664	Negative charged surface: 190.566	Volume: 268.5
Hydrophobic surface: 421.359	Hydrophilic surface: 96.872

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.