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MMsINC code: MMs01247565

Type: Neutral
Formula: C₂₄H₂₃N₃O₂

SMILES:

O(CCCC)c1ccc(cc1)C(=O)Nc1ccccc1-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C24H23N3O2/c1-2-3-16-29-18-14-12-17(13-15-18)24(28)27-20-9-5-4-8-19(20)23-25-21-10-6-7-11-22(21)26-23/h4-15H,2-3,16H2,1H3,(H,25,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2103 kcal/mol

Physical Properties
Molecular Weight: 385.467 g/mol	logS: -7.55481	SlogP: 5.6611	Reactive groups: 0

Topological Properties
Globularity: 0.0157228	Sterimol/B1: 2.63816	Sterimol/B2: 3.40667	Sterimol/B3: 6.58789
Sterimol/B4: 6.89045	Sterimol/L: 18.98

Surface and Volume Properties
Accessible surface: 680.863	Positive charged surface: 413.49	Negative charged surface: 267.373	Volume: 382
Hydrophobic surface: 597.605	Hydrophilic surface: 83.258

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.