MMsINC Database Search


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MMsINC code: MMs03452603

Type: Neutral
Formula: C₂₄H₁₆O

SMILES:

O1C2C1c1c(CC2)c2c3c4c(c5c(cc4cc2)cccc5)ccc3c1

InChI:

InChI=1/C24H16O/c1-2-4-16-13(3-1)11-14-5-8-19-17-9-10-21-24(25-21)20(17)12-15-6-7-18(16)22(14)23(15)19/h1-8,11-12,21,24H,9-10H2/t21-,24+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.1 kcal/mol

Physical Properties
Molecular Weight: 320.391 g/mol	logS: -8.99858	SlogP: 6.21877	Reactive groups: 1

Topological Properties
Globularity: 0.0141626	Sterimol/B1: 3.07097	Sterimol/B2: 3.08404	Sterimol/B3: 4.6651
Sterimol/B4: 5.54067	Sterimol/L: 16.4215

Surface and Volume Properties
Accessible surface: 534.831	Positive charged surface: 264.67	Negative charged surface: 226.127	Volume: 314.25
Hydrophobic surface: 514.218	Hydrophilic surface: 20.613

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.