MMsINC Database Search


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

MMsINC code: MMs01646167

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

o1c2c(cc(OC(=O)c3cc(ccc3)C)cc2)c2c1cccc2

InChI:

InChI=1/C20H14O3/c1-13-5-4-6-14(11-13)20(21)22-15-9-10-19-17(12-15)16-7-2-3-8-18(16)23-19/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3644 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -7.26487	SlogP: 5.11362	Reactive groups: 0

Topological Properties
Globularity: 0.0578183	Sterimol/B1: 2.44424	Sterimol/B2: 4.40039	Sterimol/B3: 5.42976
Sterimol/B4: 5.82088	Sterimol/L: 17.6139

Surface and Volume Properties
Accessible surface: 559.075	Positive charged surface: 301.251	Negative charged surface: 246.688	Volume: 291.625
Hydrophobic surface: 515.141	Hydrophilic surface: 43.934

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.