MMsINC Database Search


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MMsINC code: MMs02427981

Type: Tautomer
Formula: C₂₄H₂₀O₄

SMILES:

O(C(=O)c1ccccc1-c1ccccc1C(=O)CC(=O)c1ccc(cc1)C)C

InChI:

InChI=1/C24H20O4/c1-16-11-13-17(14-12-16)22(25)15-23(26)20-9-5-3-7-18(20)19-8-4-6-10-21(19)24(27)28-2/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.492 kcal/mol

Physical Properties
Molecular Weight: 372.42 g/mol	logS: -6.95299	SlogP: 4.90432	Reactive groups: 0

Topological Properties
Globularity: 0.145354	Sterimol/B1: 4.50256	Sterimol/B2: 5.22563	Sterimol/B3: 5.80778
Sterimol/B4: 6.30995	Sterimol/L: 15.8988

Surface and Volume Properties
Accessible surface: 637.92	Positive charged surface: 394.051	Negative charged surface: 242.192	Volume: 363.75
Hydrophobic surface: 590.656	Hydrophilic surface: 47.264

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

search links for this molecule:

Parent related molecule:

MMs02427978
NCID-ZINC05012281