MMsINC Database Search


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MMsINC code: MMs02182786

Type: Neutral
Formula: C₂₄H₂₄O₃

SMILES:

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

InChI:

InChI=1/C24H24O3/c1-3-27-23(25)17-24(26,21-13-9-18(2)10-14-21)22-15-11-20(12-16-22)19-7-5-4-6-8-19/h4-16,26H,3,17H2,1-2H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.142 kcal/mol

Physical Properties
Molecular Weight: 360.453 g/mol	logS: -6.4414	SlogP: 5.16262	Reactive groups: 1

Topological Properties
Globularity: 0.112369	Sterimol/B1: 2.48591	Sterimol/B2: 3.26448	Sterimol/B3: 5.0646
Sterimol/B4: 10.2605	Sterimol/L: 18.5981

Surface and Volume Properties
Accessible surface: 659.651	Positive charged surface: 389.109	Negative charged surface: 260.28	Volume: 370.125
Hydrophobic surface: 588.092	Hydrophilic surface: 71.559

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.