MMsINC Database Search


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MMsINC code: MMs03547811

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c2-c3c(-c4c2c(cc1)ccc4)cc1c(c3)cccc1

InChI:

InChI=1/C20H12O/c21-18-9-8-12-6-3-7-15-16-10-13-4-1-2-5-14(13)11-17(16)20(18)19(12)15/h1-11,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2791 kcal/mol

Physical Properties
Molecular Weight: 268.315 g/mol	logS: -7.98595	SlogP: 5.346	Reactive groups: 0

Topological Properties
Globularity: 0.00187673	Sterimol/B1: 2.13235	Sterimol/B2: 2.18809	Sterimol/B3: 4.27337
Sterimol/B4: 5.91169	Sterimol/L: 14.0704

Surface and Volume Properties
Accessible surface: 484.057	Positive charged surface: 231.07	Negative charged surface: 209.08	Volume: 263.25
Hydrophobic surface: 442.219	Hydrophilic surface: 41.838

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.