MMsINC Database Search


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MMsINC code: MMs02472687

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

o1c2c(c3c4c(ccc13)cccc4)c1c(cc2)cccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7022 kcal/mol

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

Topological Properties
Globularity: 0.0104507	Sterimol/B1: 2.42187	Sterimol/B2: 2.65506	Sterimol/B3: 2.89278
Sterimol/B4: 7.12149	Sterimol/L: 13.2631

Surface and Volume Properties
Accessible surface: 471.428	Positive charged surface: 231.84	Negative charged surface: 206.727	Volume: 263.875
Hydrophobic surface: 459.43	Hydrophilic surface: 11.998

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.