MMsINC Database Search


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MMsINC code: MMs02336037

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

o1c2c(cccc2)c(c1-c1ccccc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0801 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -7.65177	SlogP: 5.7668	Reactive groups: 0

Topological Properties
Globularity: 0.109469	Sterimol/B1: 2.4323	Sterimol/B2: 3.35577	Sterimol/B3: 3.5997
Sterimol/B4: 8.77473	Sterimol/L: 13.765

Surface and Volume Properties
Accessible surface: 510.167	Positive charged surface: 285.293	Negative charged surface: 219.906	Volume: 279.875
Hydrophobic surface: 501.607	Hydrophilic surface: 8.5599999999999

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.