MMsINC Database Search


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MMsINC code: MMs02219833

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

Oc1c2c(c3c(c1)c(c1c(cccc1)c3C)C)cccc2

InChI:

InChI=1/C20H16O/c1-12-14-7-3-4-8-15(14)13(2)20-17-10-6-5-9-16(17)19(21)11-18(12)20/h3-11,21H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.003 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -7.60441	SlogP: 5.46864	Reactive groups: 0

Topological Properties
Globularity: 0.0282463	Sterimol/B1: 2.12567	Sterimol/B2: 2.53788	Sterimol/B3: 3.38065
Sterimol/B4: 7.75148	Sterimol/L: 14.2762

Surface and Volume Properties
Accessible surface: 479.903	Positive charged surface: 253.126	Negative charged surface: 198.381	Volume: 277.875
Hydrophobic surface: 435.548	Hydrophilic surface: 44.355

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: 1

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Ions/Tautomers related molecules: no related molecules available.