MMsINC Database Search


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MMsINC code: MMs02433266

Type: Neutral
Formula: C₂₃H₁₆O

SMILES:

OC1(c2c(-c3c1cccc3)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H16O/c24-23(20-15-7-9-16-8-1-2-10-17(16)20)21-13-5-3-11-18(21)19-12-4-6-14-22(19)23/h1-15,24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.784 kcal/mol

Physical Properties
Molecular Weight: 308.38 g/mol	logS: -7.35046	SlogP: 5.4159	Reactive groups: 0

Topological Properties
Globularity: 0.513679	Sterimol/B1: 2.53564	Sterimol/B2: 5.79191	Sterimol/B3: 6.21316
Sterimol/B4: 7.70916	Sterimol/L: 11.5267

Surface and Volume Properties
Accessible surface: 522.56	Positive charged surface: 273.226	Negative charged surface: 236.819	Volume: 306.5
Hydrophobic surface: 491.945	Hydrophilic surface: 30.615

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: 0

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Ions/Tautomers related molecules: no related molecules available.