MMsINC Database Search


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MMsINC code: MMs02475961

Type: Neutral
Formula: C₂₈H₂₀O₂

SMILES:

O1c2c(c3c(cc2)cccc3)C(c2c3c(ccc12)cccc3)c1ccc(OC)cc1

InChI:

InChI=1/C28H20O2/c1-29-21-14-10-20(11-15-21)26-27-22-8-4-2-6-18(22)12-16-24(27)30-25-17-13-19-7-3-5-9-23(19)28(25)26/h2-17,26H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.681 kcal/mol

Physical Properties
Molecular Weight: 388.466 g/mol	logS: -9.18536	SlogP: 7.2875	Reactive groups: 0

Topological Properties
Globularity: 0.342416	Sterimol/B1: 2.57473	Sterimol/B2: 2.8857	Sterimol/B3: 6.36236
Sterimol/B4: 9.91592	Sterimol/L: 14.7048

Surface and Volume Properties
Accessible surface: 632.589	Positive charged surface: 360.947	Negative charged surface: 253.114	Volume: 381.25
Hydrophobic surface: 622.119	Hydrophilic surface: 10.47

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.