MMsINC Database Search


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

MMsINC code: MMs03692454

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

OCC(NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C18H20N2O3/c1-20(12-14-8-4-2-5-9-14)18(23)16(13-21)19-17(22)15-10-6-3-7-11-15/h2-11,16,21H,12-13H2,1H3,(H,19,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2038 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.16295	SlogP: 1.7023	Reactive groups: 0

Topological Properties
Globularity: 0.0893146	Sterimol/B1: 2.94832	Sterimol/B2: 3.27389	Sterimol/B3: 4.24196
Sterimol/B4: 7.58418	Sterimol/L: 16.3173

Surface and Volume Properties
Accessible surface: 574.548	Positive charged surface: 355.557	Negative charged surface: 218.992	Volume: 309.25
Hydrophobic surface: 469.711	Hydrophilic surface: 104.837

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.