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MMsINC code: MMs02917069

Type: Neutral
Formula: C₂₄H₂₇N₃O₂

SMILES:

O1CCN(CC1)CCCNC(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.608 kcal/mol

Physical Properties
Molecular Weight: 389.499 g/mol	logS: -5.37979	SlogP: 3.66232	Reactive groups: 0

Topological Properties
Globularity: 0.0172602	Sterimol/B1: 2.0351	Sterimol/B2: 2.96522	Sterimol/B3: 3.38329
Sterimol/B4: 13.0809	Sterimol/L: 18.0447

Surface and Volume Properties
Accessible surface: 713.812	Positive charged surface: 485.696	Negative charged surface: 217.496	Volume: 392.375
Hydrophobic surface: 646.061	Hydrophilic surface: 67.751

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02917070
PUBCHEM-ZINC02752911