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MMsINC code: MMs01941558

Type: Neutral
Formula: C₂₃H₂₇N₃O₂

SMILES:

O(C)c1cc2c([nH]c(C(=O)NC3CCN(CC3)Cc3ccccc3)c2C)cc1

InChI:

InChI=1/C23H27N3O2/c1-16-20-14-19(28-2)8-9-21(20)25-22(16)23(27)24-18-10-12-26(13-11-18)15-17-6-4-3-5-7-17/h3-9,14,18,25H,10-13,15H2,1-2H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7033 kcal/mol

Physical Properties
Molecular Weight: 377.488 g/mol	logS: -4.40285	SlogP: 4.14572	Reactive groups: 0

Topological Properties
Globularity: 0.0677619	Sterimol/B1: 1.969	Sterimol/B2: 4.30406	Sterimol/B3: 5.19339
Sterimol/B4: 7.12465	Sterimol/L: 21.1811

Surface and Volume Properties
Accessible surface: 685.76	Positive charged surface: 474.243	Negative charged surface: 206.116	Volume: 382.25
Hydrophobic surface: 615.495	Hydrophilic surface: 70.265

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01941559
IBS-ZINC05345869