MMsINC Database Search


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MMsINC code: MMs00023776

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

O(c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H14O/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5575 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -6.92335	SlogP: 5.7853	Reactive groups: 0

Topological Properties
Globularity: 0.0819603	Sterimol/B1: 2.77572	Sterimol/B2: 3.43074	Sterimol/B3: 4.32715
Sterimol/B4: 4.91647	Sterimol/L: 16.4975

Surface and Volume Properties
Accessible surface: 505.251	Positive charged surface: 264.159	Negative charged surface: 223.441	Volume: 275.375
Hydrophobic surface: 505.251	Hydrophilic surface: 0

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

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Ions/Tautomers related molecules: no related molecules available.