MMsINC Database Search


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MMsINC code: MMs02431590

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

o1c2c(c3c1cc1c(c3)cccc1)cc1c(c2)cccc1

InChI:

InChI=1/C20H12O/c1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20(18)21-19/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2243 kcal/mol

Physical Properties
Molecular Weight: 268.315 g/mol	logS: -8.43265	SlogP: 5.8924	Reactive groups: 0

Topological Properties
Globularity: 4.20805e-08	Sterimol/B1: 2.09706	Sterimol/B2: 2.09861	Sterimol/B3: 2.88885
Sterimol/B4: 5.52643	Sterimol/L: 16.528

Surface and Volume Properties
Accessible surface: 495.89	Positive charged surface: 237.454	Negative charged surface: 225.888	Volume: 266.5
Hydrophobic surface: 483.82	Hydrophilic surface: 12.07

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: 0

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Ions/Tautomers related molecules: no related molecules available.