MMsINC Database Search


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MMsINC code: MMs03452613

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

OC1c2c3c4c(cccc4ccc3cc3c2cccc3)C1O

InChI:

InChI=1/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.434 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.7094	SlogP: 4.4176	Reactive groups: 0

Topological Properties
Globularity: 0.0289505	Sterimol/B1: 2.99747	Sterimol/B2: 3.4585	Sterimol/B3: 5.10767
Sterimol/B4: 5.47676	Sterimol/L: 14.2665

Surface and Volume Properties
Accessible surface: 480.661	Positive charged surface: 246.57	Negative charged surface: 203.544	Volume: 273
Hydrophobic surface: 406.29	Hydrophilic surface: 74.371

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.