MMsINC Database Search


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MMsINC code: MMs02298501

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

OC(=O)Cc1c2c(cc3c4c(ccc3c2)cccc4)ccc1

InChI:

InChI=1/C20H14O2/c21-20(22)12-15-6-3-5-14-11-19-16(10-18(14)15)9-8-13-4-1-2-7-17(13)19/h1-11H,12H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0219 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -7.04939	SlogP: 4.77327	Reactive groups: 0

Topological Properties
Globularity: 0.028458	Sterimol/B1: 2.89302	Sterimol/B2: 3.31917	Sterimol/B3: 4.70625
Sterimol/B4: 5.20197	Sterimol/L: 14.5826

Surface and Volume Properties
Accessible surface: 508.269	Positive charged surface: 252.035	Negative charged surface: 225.263	Volume: 279.5
Hydrophobic surface: 418.052	Hydrophilic surface: 90.217

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02298502
NCID-ZINC01661374