MMsINC Database Search


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MMsINC code: MMs00364511

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(N1CCN(CC1)Cc1ccccc1C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H24N2O/c1-18-7-2-3-9-20(18)17-24-13-15-25(16-14-24)23(26)22-12-6-10-19-8-4-5-11-21(19)22/h2-12H,13-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.706 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.59145	SlogP: 4.37262	Reactive groups: 0

Topological Properties
Globularity: 0.122101	Sterimol/B1: 3.43548	Sterimol/B2: 3.81211	Sterimol/B3: 4.73277
Sterimol/B4: 6.0644	Sterimol/L: 16.0825

Surface and Volume Properties
Accessible surface: 613.208	Positive charged surface: 384.124	Negative charged surface: 219.084	Volume: 355
Hydrophobic surface: 580.686	Hydrophilic surface: 32.522

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

MMs00364512
ASINEX-ZINC04715557