MMsINC Database Search


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

MMsINC code: MMs03514181

Type: Neutral
Formula: C₁₈H₂₅FN₂O₄

SMILES:

Fc1ccc(cc1)CNC(=O)CCC(=O)NC(CC(C)C)C(OC)=O

InChI:

InChI=1/C18H25FN2O4/c1-12(2)10-15(18(24)25-3)21-17(23)9-8-16(22)20-11-13-4-6-14(19)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,20,22)(H,21,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5975 kcal/mol

Physical Properties
Molecular Weight: 352.406 g/mol	logS: -3.72999	SlogP: 2.1924	Reactive groups: 0

Topological Properties
Globularity: 0.0390155	Sterimol/B1: 2.40759	Sterimol/B2: 2.76828	Sterimol/B3: 4.74515
Sterimol/B4: 6.53617	Sterimol/L: 20.3578

Surface and Volume Properties
Accessible surface: 664.659	Positive charged surface: 451.267	Negative charged surface: 213.392	Volume: 339
Hydrophobic surface: 505.765	Hydrophilic surface: 158.894

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.