MMsINC Database Search


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

MMsINC code: MMs02984329

Type: Neutral
Formula: C₂₀H₁₆N₂O

SMILES:

O(Cc1ccccc1)c1cc(ccc1)-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C20H16N2O/c1-2-7-15(8-3-1)14-23-17-10-6-9-16(13-17)20-21-18-11-4-5-12-19(18)22-20/h1-13H,14H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.473 kcal/mol

Physical Properties
Molecular Weight: 300.361 g/mol	logS: -6.30852	SlogP: 5.0753	Reactive groups: 0

Topological Properties
Globularity: 0.0299458	Sterimol/B1: 2.95675	Sterimol/B2: 3.61721	Sterimol/B3: 3.61779
Sterimol/B4: 7.48248	Sterimol/L: 18.5123

Surface and Volume Properties
Accessible surface: 577.194	Positive charged surface: 318.926	Negative charged surface: 258.268	Volume: 302.625
Hydrophobic surface: 533.9	Hydrophilic surface: 43.294

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.