MMsINC Database Search


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MMsINC code: MMs02678170

Type: Neutral
Formula: C₂₁H₂₄O₄

SMILES:

O(C(=O)Cc1ccc(cc1)CCCc1ccc(cc1)CC(OC)=O)C

InChI:

InChI=1/C21H24O4/c1-24-20(22)14-18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15-21(23)25-2/h6-13H,3-5,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3566 kcal/mol

Physical Properties
Molecular Weight: 340.419 g/mol	logS: -5.2778	SlogP: 3.29278	Reactive groups: 1

Topological Properties
Globularity: 0.0365979	Sterimol/B1: 3.32743	Sterimol/B2: 3.61797	Sterimol/B3: 3.62427
Sterimol/B4: 4.24483	Sterimol/L: 23.9297

Surface and Volume Properties
Accessible surface: 669.689	Positive charged surface: 485.268	Negative charged surface: 184.421	Volume: 350.125
Hydrophobic surface: 593.298	Hydrophilic surface: 76.391

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.