MMsINC Database Search


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MMsINC code: MMs03706710

Type: Neutral
Formula: C₂₄H₃₄N₄O₂

SMILES:

O(CCCC)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(nc(C)c1C(C)C)C

InChI:

InChI=1/C24H34N4O2/c1-6-7-16-30-21-10-8-20(9-11-21)24(29)28-14-12-27(13-15-28)23-22(17(2)3)18(4)25-19(5)26-23/h8-11,17H,6-7,12-16H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.586 kcal/mol

Physical Properties
Molecular Weight: 410.562 g/mol	logS: -5.1009	SlogP: 4.35814	Reactive groups: 0

Topological Properties
Globularity: 0.109254	Sterimol/B1: 2.3791	Sterimol/B2: 5.2291	Sterimol/B3: 5.71215
Sterimol/B4: 8.16905	Sterimol/L: 20.3428

Surface and Volume Properties
Accessible surface: 741.526	Positive charged surface: 534.408	Negative charged surface: 207.118	Volume: 423.625
Hydrophobic surface: 616.707	Hydrophilic surface: 124.819

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.