MMsINC Database Search


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MMsINC code: MMs01674263

Type: Neutral
Formula: C₂₄H₂₂O₄

SMILES:

O(C(=O)C(O)(c1ccccc1)c1ccccc1)CC(=O)c1cc(ccc1C)C

InChI:

InChI=1/C24H22O4/c1-17-13-14-18(2)21(15-17)22(25)16-28-23(26)24(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,27H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.11 kcal/mol

Physical Properties
Molecular Weight: 374.436 g/mol	logS: -6.37906	SlogP: 4.27694	Reactive groups: 0

Topological Properties
Globularity: 0.138739	Sterimol/B1: 3.05294	Sterimol/B2: 3.31427	Sterimol/B3: 6.04995
Sterimol/B4: 7.99165	Sterimol/L: 16.3977

Surface and Volume Properties
Accessible surface: 669.989	Positive charged surface: 376.598	Negative charged surface: 293.391	Volume: 369.375
Hydrophobic surface: 599.272	Hydrophilic surface: 70.717

Pharmacophoric Properties
Hydrogen bond donors: 1	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.