MMsINC Database Search


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MMsINC code: MMs03148663

Type: Neutral
Formula: C₂₃H₁₄O₄

SMILES:

O(C(=O)\C=C\c1ccccc1)c1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C23H14O4/c24-20(14-13-15-7-2-1-3-8-15)27-19-12-6-11-18-21(19)23(26)17-10-5-4-9-16(17)22(18)25/h1-14H/b14-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.351 kcal/mol

Physical Properties
Molecular Weight: 354.361 g/mol	logS: -6.50488	SlogP: 4.0808	Reactive groups: 0

Topological Properties
Globularity: 0.0461008	Sterimol/B1: 3.46539	Sterimol/B2: 4.09992	Sterimol/B3: 5.29964
Sterimol/B4: 7.11493	Sterimol/L: 17.3626

Surface and Volume Properties
Accessible surface: 604.873	Positive charged surface: 299.007	Negative charged surface: 305.866	Volume: 330.25
Hydrophobic surface: 517.389	Hydrophilic surface: 87.484

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.