MMsINC Database Search


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MMsINC code: MMs00830205

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1C=C(C(=O)c2c1cc(O)cc2)c1ccccc1

InChI:

InChI=1/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)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)=64.6182 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -3.89733	SlogP: 3.0084	Reactive groups: 1

Topological Properties
Globularity: 0.0327362	Sterimol/B1: 2.73745	Sterimol/B2: 2.80023	Sterimol/B3: 3.63072
Sterimol/B4: 4.09398	Sterimol/L: 14.9132

Surface and Volume Properties
Accessible surface: 447.057	Positive charged surface: 233.056	Negative charged surface: 214.001	Volume: 222.875
Hydrophobic surface: 365.581	Hydrophilic surface: 81.476

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.