MMsINC Database Search


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MMsINC code: MMs03285120

Type: Neutral
Formula: C₂₇H₂₁O+

SMILES:

[o+]1c2c(-c3c(CC2)cccc3)c(c2CCc3c(-c12)cccc3)-c1ccccc1

InChI:

InChI=1/C27H21O/c1-2-10-20(11-3-1)25-23-16-14-19-9-5-7-13-22(19)27(23)28-24-17-15-18-8-4-6-12-21(18)26(24)25/h1-13H,14-17H2/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.9 kcal/mol

Physical Properties
Molecular Weight: 361.464 g/mol	logS: -9.40989	SlogP: 6.75878	Reactive groups: 0

Topological Properties
Globularity: 0.0620937	Sterimol/B1: 2.35364	Sterimol/B2: 3.46647	Sterimol/B3: 3.58264
Sterimol/B4: 9.82414	Sterimol/L: 16.1393

Surface and Volume Properties
Accessible surface: 599.708	Positive charged surface: 370.701	Negative charged surface: 218.011	Volume: 363.875
Hydrophobic surface: 591.964	Hydrophilic surface: 7.7439999999999

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