MMsINC Database Search


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MMsINC code: MMs02696260

Type: Neutral
Formula: C₂₁H₁₈O₃

SMILES:

O(C(=O)COc1cc(ccc1)C)c1ccccc1-c1ccccc1

InChI:

InChI=1/C21H18O3/c1-16-8-7-11-18(14-16)23-15-21(22)24-20-13-6-5-12-19(20)17-9-3-2-4-10-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.917 kcal/mol

Physical Properties
Molecular Weight: 318.372 g/mol	logS: -6.47606	SlogP: 4.64642	Reactive groups: 0

Topological Properties
Globularity: 0.106614	Sterimol/B1: 2.45801	Sterimol/B2: 4.96399	Sterimol/B3: 5.81549
Sterimol/B4: 6.5369	Sterimol/L: 16.4517

Surface and Volume Properties
Accessible surface: 593.397	Positive charged surface: 337.09	Negative charged surface: 253.807	Volume: 318.625
Hydrophobic surface: 559.289	Hydrophilic surface: 34.108

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.