MMsINC Database Search


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MMsINC code: MMs03547107

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

OC1C=C2c3c(c4c(cc3-c3c2cccc3)cccc4)C1O

InChI:

InChI=1/C20H14O2/c21-17-10-16-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)19(18(15)16)20(17)22/h1-10,17,20-22H/t17-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.17 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.01783	SlogP: 3.57259	Reactive groups: 0

Topological Properties
Globularity: 0.030192	Sterimol/B1: 2.88457	Sterimol/B2: 3.17001	Sterimol/B3: 3.20658
Sterimol/B4: 7.73946	Sterimol/L: 14.282

Surface and Volume Properties
Accessible surface: 492.154	Positive charged surface: 275.33	Negative charged surface: 194.647	Volume: 273.75
Hydrophobic surface: 407.207	Hydrophilic surface: 84.947

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.