MMsINC Database Search


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MMsINC code: MMs00465727

Type: Neutral
Formula: C₂₁H₁₆O

SMILES:

OC(c1c2c(ccc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C21H16O/c22-21(18-13-12-15-6-1-2-8-17(15)14-18)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,21-22H/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0991 kcal/mol

Physical Properties
Molecular Weight: 284.358 g/mol	logS: -6.67956	SlogP: 5.1702	Reactive groups: 0

Topological Properties
Globularity: 0.129866	Sterimol/B1: 2.44221	Sterimol/B2: 4.58047	Sterimol/B3: 4.98952
Sterimol/B4: 5.2106	Sterimol/L: 13.557

Surface and Volume Properties
Accessible surface: 515.68	Positive charged surface: 250.473	Negative charged surface: 244.719	Volume: 286.75
Hydrophobic surface: 478.351	Hydrophilic surface: 37.329

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.