MMsINC Database Search


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MMsINC code: MMs00003124

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2955 kcal/mol

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

Topological Properties
Globularity: 0.0267666	Sterimol/B1: 2.54375	Sterimol/B2: 2.79003	Sterimol/B3: 3.29944
Sterimol/B4: 5.80932	Sterimol/L: 15.7065

Surface and Volume Properties
Accessible surface: 469.804	Positive charged surface: 315.822	Negative charged surface: 153.982	Volume: 238.375
Hydrophobic surface: 413.673	Hydrophilic surface: 56.131

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.