MMsINC Database Search


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MMsINC code: MMs02759225

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

O(C)c1c2c(ccc1)c(c1c(c3c(cc1)cccc3)c2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.084 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -7.54282	SlogP: 5.46322	Reactive groups: 0

Topological Properties
Globularity: 0.00828294	Sterimol/B1: 1.969	Sterimol/B2: 2.38743	Sterimol/B3: 2.51256
Sterimol/B4: 9.11393	Sterimol/L: 13.6673

Surface and Volume Properties
Accessible surface: 495.345	Positive charged surface: 280.161	Negative charged surface: 182.721	Volume: 279.625
Hydrophobic surface: 491.446	Hydrophilic surface: 3.899

Pharmacophoric Properties
Hydrogen bond donors: 0	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.