MMsINC Database Search


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

MMsINC code: MMs02213924

Type: Neutral
Formula: C₂₀H₁₈N₂O

SMILES:

O=C(N(Cc1ccccc1)c1ccccc1)Nc1ccccc1

InChI:

InChI=1/C20H18N2O/c23-20(21-18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2285 kcal/mol

Physical Properties
Molecular Weight: 302.377 g/mol	logS: -4.91396	SlogP: 5.1917	Reactive groups: 0

Topological Properties
Globularity: 0.167053	Sterimol/B1: 2.71394	Sterimol/B2: 2.91973	Sterimol/B3: 5.13709
Sterimol/B4: 9.50831	Sterimol/L: 14.2783

Surface and Volume Properties
Accessible surface: 556.68	Positive charged surface: 322.604	Negative charged surface: 234.076	Volume: 308.75
Hydrophobic surface: 530.296	Hydrophilic surface: 26.384

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.