MMsINC Database Search


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MMsINC code: MMs02277366

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

OC1c2c(-c3c(cccc3)C1O)c(c1c(cccc1)c2C)C

InChI:

InChI=1/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.155 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -6.32786	SlogP: 4.39504	Reactive groups: 0

Topological Properties
Globularity: 0.0829513	Sterimol/B1: 2.15991	Sterimol/B2: 3.56086	Sterimol/B3: 3.67423
Sterimol/B4: 7.67742	Sterimol/L: 14.265

Surface and Volume Properties
Accessible surface: 497.151	Positive charged surface: 287.303	Negative charged surface: 196.318	Volume: 288
Hydrophobic surface: 413.375	Hydrophilic surface: 83.776

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.