MMsINC Database Search


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MMsINC code: MMs02311600

Type: Neutral
Formula: C₁₆H₁₀O₄

SMILES:

O=C(C=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C=O

InChI:

InChI=1/C16H10O4/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.736 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -4.48618	SlogP: 2.1168	Reactive groups: 1

Topological Properties
Globularity: 3.1164e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10366	Sterimol/B3: 2.63717
Sterimol/B4: 5.3721	Sterimol/L: 17.5583

Surface and Volume Properties
Accessible surface: 469.871	Positive charged surface: 206.418	Negative charged surface: 252.382	Volume: 244.375
Hydrophobic surface: 259.767	Hydrophilic surface: 210.104

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.