MMsINC Database Search


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

MMsINC code: MMs00690578

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

Oc1ccc(cc1)-c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C19H15NO2/c21-18-12-8-15(9-13-18)14-6-10-17(11-7-14)20-19(22)16-4-2-1-3-5-16/h1-13,21H,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3104 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -5.4193	SlogP: 4.3115	Reactive groups: 0

Topological Properties
Globularity: 0.00958107	Sterimol/B1: 2.49637	Sterimol/B2: 2.72066	Sterimol/B3: 3.74805
Sterimol/B4: 4.07362	Sterimol/L: 19.0722

Surface and Volume Properties
Accessible surface: 532.863	Positive charged surface: 271.623	Negative charged surface: 251.509	Volume: 284.75
Hydrophobic surface: 444.694	Hydrophilic surface: 88.169

Pharmacophoric Properties
Hydrogen bond donors: 2	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.