MMsINC Database Search


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MMsINC code: MMs03547442

Type: Neutral
Formula: C₂₂H₁₄O

SMILES:

Oc1cc2c(c3c(cc4c(c5c(cc4)cccc5)c3)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.018 kcal/mol

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

Topological Properties
Globularity: 0.00136043	Sterimol/B1: 2.12918	Sterimol/B2: 2.20352	Sterimol/B3: 3.22363
Sterimol/B4: 7.12091	Sterimol/L: 15.3348

Surface and Volume Properties
Accessible surface: 521.036	Positive charged surface: 238.391	Negative charged surface: 238.36	Volume: 291.5
Hydrophobic surface: 468.837	Hydrophilic surface: 52.199

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.