MMsINC Database Search


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MMsINC code: MMs02693745

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C(=O)Cc1ccccc1)c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1307 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.61079	SlogP: 2.84327	Reactive groups: 0

Topological Properties
Globularity: 0.0801629	Sterimol/B1: 2.58978	Sterimol/B2: 3.5087	Sterimol/B3: 4.33238
Sterimol/B4: 4.85536	Sterimol/L: 15.8107

Surface and Volume Properties
Accessible surface: 493.588	Positive charged surface: 313.013	Negative charged surface: 180.575	Volume: 239.875
Hydrophobic surface: 454.204	Hydrophilic surface: 39.384

Pharmacophoric Properties
Hydrogen bond donors: 0	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.