MMsINC Database Search


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MMsINC code: MMs02236398

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C(=O)C)c1ccccc1C(OCc1ccccc1)=O

InChI:

InChI=1/C16H14O4/c1-12(17)20-15-10-6-5-9-14(15)16(18)19-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2935 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.88803	SlogP: 3.2353	Reactive groups: 0

Topological Properties
Globularity: 0.0687611	Sterimol/B1: 2.03801	Sterimol/B2: 3.72684	Sterimol/B3: 3.75599
Sterimol/B4: 8.50421	Sterimol/L: 14.7702

Surface and Volume Properties
Accessible surface: 523.167	Positive charged surface: 297.194	Negative charged surface: 225.973	Volume: 259.875
Hydrophobic surface: 458.466	Hydrophilic surface: 64.701

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.