MMsINC Database Search


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MMsINC code: MMs01728550

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

o1cc(c2cc(O)ccc12)C(=O)c1ccccc1

InChI:

InChI=1/C15H10O3/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-9,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1504 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.54107	SlogP: 3.3694	Reactive groups: 0

Topological Properties
Globularity: 0.0180515	Sterimol/B1: 2.53103	Sterimol/B2: 2.62562	Sterimol/B3: 3.75691
Sterimol/B4: 4.04175	Sterimol/L: 14.4288

Surface and Volume Properties
Accessible surface: 438.768	Positive charged surface: 216.561	Negative charged surface: 216.809	Volume: 221.875
Hydrophobic surface: 343.153	Hydrophilic surface: 95.615

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.