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MMsINC code: MMs00105107

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(N1CCN(CC1)Cc1c2c(ccc1)cccc2)Cc1ccccc1

InChI:

InChI=1/C23H24N2O/c26-23(17-19-7-2-1-3-8-19)25-15-13-24(14-16-25)18-21-11-6-10-20-9-4-5-12-22(20)21/h1-12H,13-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.534 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.179	SlogP: 3.99307	Reactive groups: 0

Topological Properties
Globularity: 0.0802827	Sterimol/B1: 3.40909	Sterimol/B2: 4.35974	Sterimol/B3: 4.87433
Sterimol/B4: 5.16031	Sterimol/L: 18.5452

Surface and Volume Properties
Accessible surface: 624.884	Positive charged surface: 401.881	Negative charged surface: 213.73	Volume: 357
Hydrophobic surface: 592.536	Hydrophilic surface: 32.348

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00105108
ASINEX-ZINC00273099