MMsINC Database Search


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MMsINC code: MMs02324097

Type: Neutral
Formula: C₁₄H₁₂O₃

SMILES:

O(C(=O)c1ccccc1O)c1ccccc1C

InChI:

InChI=1/C14H12O3/c1-10-6-2-5-9-13(10)17-14(16)11-7-3-4-8-12(11)15/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0628 kcal/mol

Physical Properties
Molecular Weight: 228.247 g/mol	logS: -3.29746	SlogP: 2.91982	Reactive groups: 0

Topological Properties
Globularity: 0.126895	Sterimol/B1: 2.34119	Sterimol/B2: 3.6126	Sterimol/B3: 4.27966
Sterimol/B4: 5.95024	Sterimol/L: 14.1392

Surface and Volume Properties
Accessible surface: 447.725	Positive charged surface: 252.846	Negative charged surface: 194.878	Volume: 222.5
Hydrophobic surface: 384.31	Hydrophilic surface: 63.415

Pharmacophoric Properties
Hydrogen bond donors: 1	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.