MMsINC Database Search


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

MMsINC code: MMs02660735

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

o1c2c(nc1Cc1oc3c(n1)cc(cc3)C)cc(cc2)C

InChI:

InChI=1/C17H14N2O2/c1-10-3-5-14-12(7-10)18-16(20-14)9-17-19-13-8-11(2)4-6-15(13)21-17/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.153 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -5.05931	SlogP: 4.17661	Reactive groups: 0

Topological Properties
Globularity: 0.0957412	Sterimol/B1: 2.50471	Sterimol/B2: 3.57025	Sterimol/B3: 5.17143
Sterimol/B4: 6.30794	Sterimol/L: 16.7817

Surface and Volume Properties
Accessible surface: 542.407	Positive charged surface: 325.601	Negative charged surface: 216.806	Volume: 266.375
Hydrophobic surface: 449.145	Hydrophilic surface: 93.262

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.