MMsINC Database Search


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MMsINC code: MMs01000991

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(C(=O)c1ccc(cc1)C)C(=O)C

InChI:

InChI=1/C24H20O3/c1-15-11-13-17(14-12-15)24(26)22(16(2)25)23-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)23/h3-14,22-23H,1-2H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.936 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -6.27968	SlogP: 5.32072	Reactive groups: 0

Topological Properties
Globularity: 0.172955	Sterimol/B1: 2.6219	Sterimol/B2: 5.10041	Sterimol/B3: 5.65908
Sterimol/B4: 7.23297	Sterimol/L: 15.5552

Surface and Volume Properties
Accessible surface: 587.678	Positive charged surface: 328.296	Negative charged surface: 259.383	Volume: 350.125
Hydrophobic surface: 548.844	Hydrophilic surface: 38.834

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01000993 CHEMDIV-ZINC06721453	MMs01000994 CHEMDIV-ZINC06721453	MMs01000992 CHEMDIV-ZINC06721453
MMs01000995 CHEMDIV-ZINC06721453