MMsINC Database Search


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MMsINC code: MMs01391920

Type: Neutral
Formula: C₂₀H₂₆N₄O₂

SMILES:

O(CC(=O)N1CCN(CC1)c1ncccn1)c1cc(ccc1C(C)C)C

InChI:

InChI=1/C20H26N4O2/c1-15(2)17-6-5-16(3)13-18(17)26-14-19(25)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h4-8,13,15H,9-12,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.003 kcal/mol

Physical Properties
Molecular Weight: 354.454 g/mol	logS: -4.54186	SlogP: 2.63602	Reactive groups: 0

Topological Properties
Globularity: 0.0515248	Sterimol/B1: 1.99837	Sterimol/B2: 3.79528	Sterimol/B3: 3.95378
Sterimol/B4: 8.6735	Sterimol/L: 18.1605

Surface and Volume Properties
Accessible surface: 656.303	Positive charged surface: 492.602	Negative charged surface: 163.7	Volume: 358.625
Hydrophobic surface: 548.315	Hydrophilic surface: 107.988

Pharmacophoric Properties
Hydrogen bond donors: 0	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.