MMsINC Database Search


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MMsINC code: MMs00761233

Type: Neutral
Formula: C₁₈H₁₄O₃

SMILES:

O(C)c1ccccc1C(Oc1c2c(ccc1)cccc2)=O

InChI:

InChI=1/C18H14O3/c1-20-16-11-5-4-10-15(16)18(19)21-17-12-6-8-13-7-2-3-9-14(13)17/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.024 kcal/mol

Physical Properties
Molecular Weight: 278.307 g/mol	logS: -5.4272	SlogP: 4.0676	Reactive groups: 0

Topological Properties
Globularity: 0.160143	Sterimol/B1: 2.31623	Sterimol/B2: 2.49768	Sterimol/B3: 6.10835
Sterimol/B4: 6.20967	Sterimol/L: 14.3316

Surface and Volume Properties
Accessible surface: 517.234	Positive charged surface: 309.396	Negative charged surface: 198.891	Volume: 270.625
Hydrophobic surface: 493.517	Hydrophilic surface: 23.717

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

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Ions/Tautomers related molecules: no related molecules available.