MMsINC Database Search


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MMsINC code: MMs03452663

Type: Neutral
Formula: C₂₂H₁₄O

SMILES:

Oc1c2c(c3c(c1)cc1c4c(ccc1c3)cccc4)cccc2

InChI:

InChI=1/C22H14O/c23-22-13-16-12-20-15(10-9-14-5-1-2-6-17(14)20)11-21(16)18-7-3-4-8-19(18)22/h1-13,23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.797 kcal/mol

Physical Properties
Molecular Weight: 294.353 g/mol	logS: -8.53445	SlogP: 6.005	Reactive groups: 0

Topological Properties
Globularity: 0.00125974	Sterimol/B1: 2.14505	Sterimol/B2: 2.18223	Sterimol/B3: 4.3268
Sterimol/B4: 5.40132	Sterimol/L: 16.3079

Surface and Volume Properties
Accessible surface: 518.522	Positive charged surface: 237.205	Negative charged surface: 237.032	Volume: 292.125
Hydrophobic surface: 473.729	Hydrophilic surface: 44.793

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.