MMsINC Database Search


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MMsINC code: MMs02237149

Type: Neutral
Formula: C₂₇H₂₂O₂

SMILES:

O1c2c(c3c(cc2)cccc3)C(=C(C1(C)C)c1ccccc1)c1ccc(O)cc1

InChI:

InChI=1/C27H22O2/c1-27(2)26(20-9-4-3-5-10-20)24(19-12-15-21(28)16-13-19)25-22-11-7-6-8-18(22)14-17-23(25)29-27/h3-17,28H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.725 kcal/mol

Physical Properties
Molecular Weight: 378.471 g/mol	logS: -7.78881	SlogP: 6.49279	Reactive groups: 0

Topological Properties
Globularity: 0.139214	Sterimol/B1: 2.60409	Sterimol/B2: 2.8616	Sterimol/B3: 4.26594
Sterimol/B4: 10.1606	Sterimol/L: 14.7564

Surface and Volume Properties
Accessible surface: 599.627	Positive charged surface: 364.128	Negative charged surface: 226.807	Volume: 379.25
Hydrophobic surface: 511.718	Hydrophilic surface: 87.909

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.