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MMsINC code: MMs01826034

Type: Neutral
Formula: C₂₃H₃₀N₂O

SMILES:

OC1C2(CN(CC1(CN(C2)C)C)C(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C23H30N2O/c1-22-14-24(3)15-23(2,21(22)26)17-25(16-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21,26H,14-17H2,1-3H3/t21-,22+,23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.934 kcal/mol

Physical Properties
Molecular Weight: 350.506 g/mol	logS: -3.57346	SlogP: 3.506	Reactive groups: 0

Topological Properties
Globularity: 0.378135	Sterimol/B1: 3.17886	Sterimol/B2: 3.23044	Sterimol/B3: 5.85688
Sterimol/B4: 8.52749	Sterimol/L: 11.3413

Surface and Volume Properties
Accessible surface: 575.445	Positive charged surface: 403.46	Negative charged surface: 171.985	Volume: 369.5
Hydrophobic surface: 511.11	Hydrophilic surface: 64.335

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs01826035
IBS-ZINC02294970