MMsINC Database Search


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

MMsINC code: MMs03926295

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

Oc1ccccc1C=C1c2c(-c3c1cccc3)cccc2

InChI:

InChI=1/C20H14O/c21-20-12-6-1-7-14(20)13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h1-13,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.128 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -5.82858	SlogP: 4.77879	Reactive groups: 0

Topological Properties
Globularity: 0.070387	Sterimol/B1: 2.21686	Sterimol/B2: 4.90672	Sterimol/B3: 4.99981
Sterimol/B4: 5.75808	Sterimol/L: 14.2994

Surface and Volume Properties
Accessible surface: 493.507	Positive charged surface: 265.791	Negative charged surface: 216.742	Volume: 274.125
Hydrophobic surface: 448.699	Hydrophilic surface: 44.808

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.