MMsINC Database Search


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MMsINC code: MMs01858721

Type: Neutral
Formula: C₂₀H₂₅N₃O₂

SMILES:

O=C1N(C)C(=O)N(c2c1c(n(c2)CCCCC)-c1cc(ccc1)C)C

InChI:

InChI=1/C20H25N3O2/c1-5-6-7-11-23-13-16-17(19(24)22(4)20(25)21(16)3)18(23)15-10-8-9-14(2)12-15/h8-10,12-13H,5-7,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.4133 kcal/mol

Physical Properties
Molecular Weight: 339.439 g/mol	logS: -4.49167	SlogP: 4.56192	Reactive groups: 0

Topological Properties
Globularity: 0.109197	Sterimol/B1: 2.67357	Sterimol/B2: 3.95547	Sterimol/B3: 5.19484
Sterimol/B4: 8.68447	Sterimol/L: 15.9735

Surface and Volume Properties
Accessible surface: 618.714	Positive charged surface: 459.426	Negative charged surface: 159.288	Volume: 347.25
Hydrophobic surface: 523.749	Hydrophilic surface: 94.965

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.