MMsINC Database Search


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

MMsINC code: MMs00139276

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C(=O)c1c2c(n(c1)CC(=O)N1CCc3c1cccc3)cccc2)C

InChI:

InChI=1/C20H18N2O3/c1-25-20(24)16-12-21(18-9-5-3-7-15(16)18)13-19(23)22-11-10-14-6-2-4-8-17(14)22/h2-9,12H,10-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5984 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -4.02483	SlogP: 3.28357	Reactive groups: 0

Topological Properties
Globularity: 0.120527	Sterimol/B1: 2.56041	Sterimol/B2: 4.2682	Sterimol/B3: 5.00924
Sterimol/B4: 9.41076	Sterimol/L: 15.9083

Surface and Volume Properties
Accessible surface: 589.596	Positive charged surface: 373.188	Negative charged surface: 210.432	Volume: 322
Hydrophobic surface: 512.342	Hydrophilic surface: 77.254

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.