MMsINC Database Search


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MMsINC code: MMs03452604

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

OC1C=Cc2c(cc3c4c5c(c6c(cc5ccc24)cccc6)cc3)C1O

InChI:

InChI=1/C24H16O2/c25-21-10-9-17-19-8-5-14-11-13-3-1-2-4-16(13)18-7-6-15(23(19)22(14)18)12-20(17)24(21)26/h1-12,21,24-26H/t21-,24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.22 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -8.5446	SlogP: 5.2538	Reactive groups: 0

Topological Properties
Globularity: 0.0255536	Sterimol/B1: 3.50338	Sterimol/B2: 3.66309	Sterimol/B3: 4.90091
Sterimol/B4: 5.26195	Sterimol/L: 16.4704

Surface and Volume Properties
Accessible surface: 551.842	Positive charged surface: 281.136	Negative charged surface: 226.42	Volume: 321.75
Hydrophobic surface: 449.843	Hydrophilic surface: 101.999

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.