MMsINC Database Search


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MMsINC code: MMs03523389

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

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

InChI:

InChI=1/C20H16O2/c1-12-9-13-5-2-3-6-15(13)20-14(11-21)10-17-16(19(12)20)7-4-8-18(17)22/h2-10,21-22H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.525 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -6.90151	SlogP: 4.91892	Reactive groups: 0

Topological Properties
Globularity: 0.0366786	Sterimol/B1: 2.25021	Sterimol/B2: 2.54981	Sterimol/B3: 3.16794
Sterimol/B4: 9.32596	Sterimol/L: 14.3003

Surface and Volume Properties
Accessible surface: 497.753	Positive charged surface: 280.693	Negative charged surface: 190.617	Volume: 280.625
Hydrophobic surface: 399.29	Hydrophilic surface: 98.463

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.