MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02082630

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)CCNC(=O)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C18H19FN2O3/c1-2-24-16-9-7-15(8-10-16)21-18(23)17(22)20-12-11-13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6388 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -4.26148	SlogP: 2.52177	Reactive groups: 0

Topological Properties
Globularity: 0.02014	Sterimol/B1: 2.99405	Sterimol/B2: 3.48976	Sterimol/B3: 3.61731
Sterimol/B4: 4.23854	Sterimol/L: 22.4388

Surface and Volume Properties
Accessible surface: 622.334	Positive charged surface: 375.372	Negative charged surface: 246.962	Volume: 311
Hydrophobic surface: 493.404	Hydrophilic surface: 128.93

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.