MMsINC Database Search


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MMsINC code: MMs02828244

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

o1c2c(cccc2)c(C(=O)c2ccc(O)cc2)c1-c1c(cc(cc1C)C)C

InChI:

InChI=1/C24H20O3/c1-14-12-15(2)21(16(3)13-14)24-22(19-6-4-5-7-20(19)27-24)23(26)17-8-10-18(25)11-9-17/h4-13,25H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.255 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -8.35801	SlogP: 5.96166	Reactive groups: 0

Topological Properties
Globularity: 0.236858	Sterimol/B1: 4.38864	Sterimol/B2: 4.64534	Sterimol/B3: 5.55066
Sterimol/B4: 7.43634	Sterimol/L: 14.6515

Surface and Volume Properties
Accessible surface: 594.67	Positive charged surface: 336.343	Negative charged surface: 256.381	Volume: 356.375
Hydrophobic surface: 515.616	Hydrophilic surface: 79.054

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.