MMsINC Database Search


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

MMsINC code: MMs03925259

Type: Neutral
Formula: C₁₈H₁₆O₂

SMILES:

O=C1Cc2ccc(CC(=O)Cc3ccc(C1)cc3)cc2

InChI:

InChI=1/C18H16O2/c19-17-9-13-1-2-14(4-3-13)10-18(20)12-16-7-5-15(11-17)6-8-16/h1-8H,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.611 kcal/mol

Physical Properties
Molecular Weight: 264.324 g/mol	logS: -4.13088	SlogP: 2.70848	Reactive groups: 0

Topological Properties
Globularity: 0.269328	Sterimol/B1: 2.097	Sterimol/B2: 3.41741	Sterimol/B3: 4.40509
Sterimol/B4: 5.80599	Sterimol/L: 12.0432

Surface and Volume Properties
Accessible surface: 416.31	Positive charged surface: 276.957	Negative charged surface: 139.353	Volume: 255.75
Hydrophobic surface: 338.294	Hydrophilic surface: 78.016

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.