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MMsINC code: MMs02167139

Type: Neutral
Formula: C₂₄H₂₇N₃O₂

SMILES:

O(C)c1cc(OCc2ccccc2)ccc1CN1CCN(CC1)c1ncccc1

InChI:

InChI=1/C24H27N3O2/c1-28-23-17-22(29-19-20-7-3-2-4-8-20)11-10-21(23)18-26-13-15-27(16-14-26)24-9-5-6-12-25-24/h2-12,17H,13-16,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.837 kcal/mol

Physical Properties
Molecular Weight: 389.499 g/mol	logS: -4.0487	SlogP: 4.5242	Reactive groups: 0

Topological Properties
Globularity: 0.0865	Sterimol/B1: 2.25097	Sterimol/B2: 3.90978	Sterimol/B3: 5.97617
Sterimol/B4: 7.24102	Sterimol/L: 20.6133

Surface and Volume Properties
Accessible surface: 706.463	Positive charged surface: 507.753	Negative charged surface: 198.711	Volume: 393.375
Hydrophobic surface: 668.394	Hydrophilic surface: 38.069

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs02167140
MAYBRIDGE-ZINC04325085