MMsINC Database Search


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MMsINC code: MMs00615594

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C)c1cccc(OC)c1C(=O)c1ccccc1

InChI:

InChI=1/C15H14O3/c1-17-12-9-6-10-13(18-2)14(12)15(16)11-7-4-3-5-8-11/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7157 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.55845	SlogP: 2.9348	Reactive groups: 0

Topological Properties
Globularity: 0.17357	Sterimol/B1: 2.27251	Sterimol/B2: 3.79708	Sterimol/B3: 4.57474
Sterimol/B4: 9.54441	Sterimol/L: 12.2438

Surface and Volume Properties
Accessible surface: 476.6	Positive charged surface: 315.5	Negative charged surface: 161.101	Volume: 238
Hydrophobic surface: 439.436	Hydrophilic surface: 37.164

Pharmacophoric Properties
Hydrogen bond donors: 0	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.