MMsINC Database Search


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MMsINC code: MMs00691828

Type: Neutral
Formula: C₂₆H₂₃NO

SMILES:

OCCN(Cc1c2c3c4c(cc2)cccc4ccc3cc1)Cc1ccccc1

InChI:

InChI=1/C26H23NO/c28-16-15-27(17-19-5-2-1-3-6-19)18-23-12-11-22-10-9-20-7-4-8-21-13-14-24(23)26(22)25(20)21/h1-14,28H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.542 kcal/mol

Physical Properties
Molecular Weight: 365.476 g/mol	logS: -7.90683	SlogP: 6.1113	Reactive groups: 0

Topological Properties
Globularity: 0.0851439	Sterimol/B1: 2.24384	Sterimol/B2: 3.09759	Sterimol/B3: 5.3311
Sterimol/B4: 7.92635	Sterimol/L: 15.8286

Surface and Volume Properties
Accessible surface: 607.59	Positive charged surface: 363.263	Negative charged surface: 216.032	Volume: 372.375
Hydrophobic surface: 562.462	Hydrophilic surface: 45.128

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs00691829
CHEMBRIDGE-ZINC01229246