MMsINC Database Search


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MMsINC code: MMs03452609

Type: Neutral
Formula: C₂₄H₁₆O

SMILES:

O1C2C1c1c(CC2)c2c3c4c(c5c(cc4ccc3c1)cccc5)cc2

InChI:

InChI=1/C24H16O/c1-2-4-16-13(3-1)11-14-5-6-15-12-20-17(9-10-21-24(20)25-21)19-8-7-18(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)=112.343 kcal/mol

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

Topological Properties
Globularity: 0.0143491	Sterimol/B1: 3.03525	Sterimol/B2: 3.05848	Sterimol/B3: 3.61713
Sterimol/B4: 6.33617	Sterimol/L: 16.2915

Surface and Volume Properties
Accessible surface: 535.37	Positive charged surface: 266.362	Negative charged surface: 224.724	Volume: 314.25
Hydrophobic surface: 514.553	Hydrophilic surface: 20.817

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.