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MMsINC code: MMs03746736

Type: Neutral
Formula: C₁₃H₁₀O₃

SMILES:

OC1=C(C)C(=O)\C(=C\c2ccccc2)\C1=O

InChI:

InChI=1/C13H10O3/c1-8-11(14)10(13(16)12(8)15)7-9-5-3-2-4-6-9/h2-7,15H,1H3/b10-7+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7688 kcal/mol

Physical Properties
Molecular Weight: 214.22 g/mol	logS: -2.88224	SlogP: 2.0538	Reactive groups: 1

Topological Properties
Globularity: 0.0472826	Sterimol/B1: 2.10336	Sterimol/B2: 2.19423	Sterimol/B3: 3.36439
Sterimol/B4: 6.40579	Sterimol/L: 12.5312

Surface and Volume Properties
Accessible surface: 415.698	Positive charged surface: 233.29	Negative charged surface: 182.407	Volume: 201.25
Hydrophobic surface: 305.118	Hydrophilic surface: 110.58

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03746738
PUBCHEM-ZINC06459067