MMsINC Database Search


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MMsINC code: MMs01087210

Type: Neutral
Formula: C₂₁H₁₄O₂

SMILES:

o1c2c(cc1C1c3c(Oc4c1cccc4)cccc3)cccc2

InChI:

InChI=1/C21H14O2/c1-4-10-17-14(7-1)13-20(22-17)21-15-8-2-5-11-18(15)23-19-12-6-3-9-16(19)21/h1-13,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8838 kcal/mol

Physical Properties
Molecular Weight: 298.341 g/mol	logS: -6.97747	SlogP: 5.7187	Reactive groups: 0

Topological Properties
Globularity: 0.215096	Sterimol/B1: 4.07375	Sterimol/B2: 4.21944	Sterimol/B3: 6.01647
Sterimol/B4: 6.02199	Sterimol/L: 12.7329

Surface and Volume Properties
Accessible surface: 540.517	Positive charged surface: 293.354	Negative charged surface: 241.319	Volume: 292.125
Hydrophobic surface: 536.632	Hydrophilic surface: 3.8850000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.