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MMsINC code: MMs02249255

Type: Neutral
Formula: C₂₆H₂₃NO

SMILES:

O=C(CCN1CCc2c(C1)cccc2)c1cc2c(c3c(cc2)cccc3)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.911 kcal/mol

Physical Properties
Molecular Weight: 365.476 g/mol	logS: -7.17713	SlogP: 5.89047	Reactive groups: 0

Topological Properties
Globularity: 0.0216078	Sterimol/B1: 3.31843	Sterimol/B2: 3.3536	Sterimol/B3: 3.50105
Sterimol/B4: 6.4593	Sterimol/L: 20.0583

Surface and Volume Properties
Accessible surface: 658.068	Positive charged surface: 374.669	Negative charged surface: 261.256	Volume: 373.25
Hydrophobic surface: 622.52	Hydrophilic surface: 35.548

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02249256
NCID-ZINC01594897