MMsINC Database Search


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MMsINC code: MMs00044726

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C)c1cc(C(=O)Cc2ccccc2)c(O)cc1

InChI:

InChI=1/C15H14O3/c1-18-12-7-8-14(16)13(10-12)15(17)9-11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4317 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.20759	SlogP: 2.82617	Reactive groups: 0

Topological Properties
Globularity: 0.0630201	Sterimol/B1: 2.4718	Sterimol/B2: 3.53456	Sterimol/B3: 3.71245
Sterimol/B4: 6.29893	Sterimol/L: 15.1964

Surface and Volume Properties
Accessible surface: 476.247	Positive charged surface: 310.397	Negative charged surface: 165.85	Volume: 239.375
Hydrophobic surface: 402.511	Hydrophilic surface: 73.736

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.