MMsINC Database Search


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MMsINC code: MMs02663119

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C(=O)COc1ccccc1)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3979 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -4.04968	SlogP: 2.97942	Reactive groups: 0

Topological Properties
Globularity: 0.0338818	Sterimol/B1: 2.94183	Sterimol/B2: 3.1377	Sterimol/B3: 3.39195
Sterimol/B4: 4.13437	Sterimol/L: 17.3212

Surface and Volume Properties
Accessible surface: 494.261	Positive charged surface: 286.462	Negative charged surface: 207.799	Volume: 241.25
Hydrophobic surface: 448.803	Hydrophilic surface: 45.458

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.