MMsINC Database Search


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MMsINC code: MMs02405638

Type: Neutral
Formula: C₂₃H₁₈O

SMILES:

Oc1c2c(cccc2)c(cc1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18O/c24-22-16-15-21(19-13-7-8-14-20(19)22)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,23-24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.32 kcal/mol

Physical Properties
Molecular Weight: 310.396 g/mol	logS: -6.65965	SlogP: 5.7256	Reactive groups: 0

Topological Properties
Globularity: 0.291095	Sterimol/B1: 2.48569	Sterimol/B2: 3.94039	Sterimol/B3: 5.49416
Sterimol/B4: 9.3557	Sterimol/L: 12.9787

Surface and Volume Properties
Accessible surface: 548.899	Positive charged surface: 299.945	Negative charged surface: 241.042	Volume: 318
Hydrophobic surface: 503.885	Hydrophilic surface: 45.014

Pharmacophoric Properties
Hydrogen bond donors: 1	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.