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MMsINC code: MMs02797206

Type: Neutral
Formula: C₂₀H₂₅N₃O₃

SMILES:

O(C)c1cc(Nc2ncccc2C(=O)NC2CCCCC2)ccc1OC

InChI:

InChI=1/C20H25N3O3/c1-25-17-11-10-15(13-18(17)26-2)22-19-16(9-6-12-21-19)20(24)23-14-7-4-3-5-8-14/h6,9-14H,3-5,7-8H2,1-2H3,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3014 kcal/mol

Physical Properties
Molecular Weight: 355.438 g/mol	logS: -3.77635	SlogP: 3.9049	Reactive groups: 0

Topological Properties
Globularity: 0.0441331	Sterimol/B1: 2.83694	Sterimol/B2: 3.98255	Sterimol/B3: 6.22607
Sterimol/B4: 6.41615	Sterimol/L: 18.7842

Surface and Volume Properties
Accessible surface: 643.201	Positive charged surface: 503.687	Negative charged surface: 139.514	Volume: 350.125
Hydrophobic surface: 581.521	Hydrophilic surface: 61.68

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.