MMsINC Database Search


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MMsINC code: MMs00500402

Type: Neutral
Formula: C₁₇H₁₂O₃

SMILES:

O(C(=O)c1ccccc1O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C17H12O3/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4362 kcal/mol

Physical Properties
Molecular Weight: 264.28 g/mol	logS: -5.01487	SlogP: 3.7646	Reactive groups: 0

Topological Properties
Globularity: 0.0634864	Sterimol/B1: 3.46021	Sterimol/B2: 3.7134	Sterimol/B3: 3.86885
Sterimol/B4: 4.06128	Sterimol/L: 16.3513

Surface and Volume Properties
Accessible surface: 497.598	Positive charged surface: 266.417	Negative charged surface: 220.078	Volume: 251.25
Hydrophobic surface: 429.26	Hydrophilic surface: 68.338

Pharmacophoric Properties
Hydrogen bond donors: 1	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.