MMsINC Database Search


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MMsINC code: MMs02308485

Type: Neutral
Formula: C₂₂H₁₆O

SMILES:

o1c(c(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C22H16O/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9495 kcal/mol

Physical Properties
Molecular Weight: 296.369 g/mol	logS: -8.20027	SlogP: 6.2806	Reactive groups: 0

Topological Properties
Globularity: 0.056215	Sterimol/B1: 2.5654	Sterimol/B2: 3.1248	Sterimol/B3: 3.61107
Sterimol/B4: 9.09737	Sterimol/L: 14.7717

Surface and Volume Properties
Accessible surface: 552.266	Positive charged surface: 313.811	Negative charged surface: 238.456	Volume: 309
Hydrophobic surface: 549.2	Hydrophilic surface: 3.0659999999999

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