MMsINC Database Search


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MMsINC code: MMs02157990

Type: Neutral
Formula: C₂₂H₁₈O₂

SMILES:

O(CCOc1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C22H18O2/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24-22-14-6-10-18-8-2-4-12-20(18)22/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.724 kcal/mol

Physical Properties
Molecular Weight: 314.384 g/mol	logS: -7.03574	SlogP: 5.4508	Reactive groups: 0

Topological Properties
Globularity: 0.0826117	Sterimol/B1: 2.33003	Sterimol/B2: 2.54724	Sterimol/B3: 4.96465
Sterimol/B4: 6.92294	Sterimol/L: 16.1617

Surface and Volume Properties
Accessible surface: 597.427	Positive charged surface: 330.227	Negative charged surface: 244.801	Volume: 320
Hydrophobic surface: 595.985	Hydrophilic surface: 1.442

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.