MMsINC Database Search


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MMsINC code: MMs02671951

Type: Neutral
Formula: C₁₈H₁₈O₄

SMILES:

O(C(=O)c1ccc(cc1)CCc1ccc(cc1)C(OC)=O)C

InChI:

InChI=1/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7361 kcal/mol

Physical Properties
Molecular Weight: 298.338 g/mol	logS: -4.63964	SlogP: 3.04494	Reactive groups: 0

Topological Properties
Globularity: 0.0129237	Sterimol/B1: 2.48479	Sterimol/B2: 2.53915	Sterimol/B3: 2.96548
Sterimol/B4: 4.72102	Sterimol/L: 20.2588

Surface and Volume Properties
Accessible surface: 586.797	Positive charged surface: 392.617	Negative charged surface: 194.18	Volume: 297.125
Hydrophobic surface: 503.939	Hydrophilic surface: 82.858

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.