MMsINC Database Search


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MMsINC code: MMs03523388

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

Oc1c2cc(c3c(c2ccc1)c(cc1c3cccc1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.419 kcal/mol

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

Topological Properties
Globularity: 0.0322341	Sterimol/B1: 2.22904	Sterimol/B2: 2.35711	Sterimol/B3: 3.14085
Sterimol/B4: 8.26285	Sterimol/L: 14.3051

Surface and Volume Properties
Accessible surface: 481.37	Positive charged surface: 263.658	Negative charged surface: 192.605	Volume: 274.125
Hydrophobic surface: 436.995	Hydrophilic surface: 44.375

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.