MMsINC Database Search


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MMsINC code: MMs00057930

Type: Neutral
Formula: C₂₄H₁₈O

SMILES:

O=C(\C=C\c1c2c(cc3c1cccc3)cccc2)c1cc(ccc1)C

InChI:

InChI=1/C24H18O/c1-17-7-6-10-20(15-17)24(25)14-13-23-21-11-4-2-8-18(21)16-19-9-3-5-12-22(19)23/h2-16H,1H3/b14-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.105 kcal/mol

Physical Properties
Molecular Weight: 322.407 g/mol	logS: -8.19319	SlogP: 6.19752	Reactive groups: 1

Topological Properties
Globularity: 0.0437353	Sterimol/B1: 2.99681	Sterimol/B2: 3.96166	Sterimol/B3: 4.93806
Sterimol/B4: 7.37564	Sterimol/L: 16.638

Surface and Volume Properties
Accessible surface: 594.124	Positive charged surface: 297.686	Negative charged surface: 275.017	Volume: 331.375
Hydrophobic surface: 560.523	Hydrophilic surface: 33.601

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: 1

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Ions/Tautomers related molecules: no related molecules available.