MMsINC Database Search


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

MMsINC code: MMs00603830

Type: Neutral
Formula: C₁₉H₁₅NO

SMILES:

O=C(Nc1ccccc1-c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H15NO/c21-19(16-11-5-2-6-12-16)20-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5834 kcal/mol

Physical Properties
Molecular Weight: 273.335 g/mol	logS: -5.78125	SlogP: 4.6059	Reactive groups: 0

Topological Properties
Globularity: 0.0495711	Sterimol/B1: 2.55936	Sterimol/B2: 2.83435	Sterimol/B3: 3.11986
Sterimol/B4: 9.55208	Sterimol/L: 13.4188

Surface and Volume Properties
Accessible surface: 508.947	Positive charged surface: 267.902	Negative charged surface: 237.08	Volume: 278.875
Hydrophobic surface: 480.06	Hydrophilic surface: 28.887

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.