MMsINC Database Search


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MMsINC code: MMs02698050

Type: Neutral
Formula: C₂₀H₂₄O₃

SMILES:

O(Cc1ccc(cc1)C(OCC)=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C20H24O3/c1-5-22-19(21)16-8-6-15(7-9-16)14-23-18-12-10-17(11-13-18)20(2,3)4/h6-13H,5,14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8073 kcal/mol

Physical Properties
Molecular Weight: 312.409 g/mol	logS: -5.93168	SlogP: 5.0062	Reactive groups: 0

Topological Properties
Globularity: 0.0375348	Sterimol/B1: 2.36375	Sterimol/B2: 3.39782	Sterimol/B3: 3.9187
Sterimol/B4: 5.62135	Sterimol/L: 20.5883

Surface and Volume Properties
Accessible surface: 619.663	Positive charged surface: 399.242	Negative charged surface: 220.421	Volume: 329.125
Hydrophobic surface: 498.213	Hydrophilic surface: 121.45

Pharmacophoric Properties
Hydrogen bond donors: 0	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.