MMsINC Database Search


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

MMsINC code: MMs02365172

Type: Neutral
Formula: C₁₉H₁₄O

SMILES:

OC/1c2c3c(cccc3ccc2)\C\1=C\c1ccccc1

InChI:

InChI=1/C19H14O/c20-19-16-11-5-9-14-8-4-10-15(18(14)16)17(19)12-13-6-2-1-3-7-13/h1-12,19-20H/b17-12-/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5724 kcal/mol

Physical Properties
Molecular Weight: 258.32 g/mol	logS: -5.43949	SlogP: 4.5229	Reactive groups: 0

Topological Properties
Globularity: 0.0377634	Sterimol/B1: 2.78815	Sterimol/B2: 3.34507	Sterimol/B3: 4.24001
Sterimol/B4: 5.48069	Sterimol/L: 14.2982

Surface and Volume Properties
Accessible surface: 479.302	Positive charged surface: 254.965	Negative charged surface: 214.395	Volume: 263.75
Hydrophobic surface: 444.195	Hydrophilic surface: 35.107

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.