MMsINC Database Search


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MMsINC code: MMs03547158

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

OC1c2c3c4c(cccc4c4c(c3c3c(c2)cccc3)cccc4)C1O

InChI:

InChI=1/C24H16O2/c25-23-18-11-5-10-17-15-8-3-4-9-16(15)20-14-7-2-1-6-13(14)12-19(24(23)26)22(20)21(17)18/h1-12,23-26H/t23-,24+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.796 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -8.58728	SlogP: 5.5708	Reactive groups: 0

Topological Properties
Globularity: 0.0373315	Sterimol/B1: 3.20625	Sterimol/B2: 3.2436	Sterimol/B3: 4.0538
Sterimol/B4: 8.91895	Sterimol/L: 13.5091

Surface and Volume Properties
Accessible surface: 540.267	Positive charged surface: 277.4	Negative charged surface: 219.527	Volume: 319.5
Hydrophobic surface: 459.079	Hydrophilic surface: 81.188

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.