MMsINC Database Search


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

MMsINC code: MMs02313766

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

Oc1cc(ccc1)-c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C18H14O/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2741 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -5.87569	SlogP: 4.7262	Reactive groups: 0

Topological Properties
Globularity: 0.00123104	Sterimol/B1: 2.12375	Sterimol/B2: 2.22413	Sterimol/B3: 3.71751
Sterimol/B4: 4.04643	Sterimol/L: 16.3975

Surface and Volume Properties
Accessible surface: 488.789	Positive charged surface: 224.389	Negative charged surface: 242.258	Volume: 254.375
Hydrophobic surface: 436.769	Hydrophilic surface: 52.02

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.