MMsINC Database Search


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MMsINC code: MMs01207470

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O(C)c1ccc(cc1)-c1nc(N2CCN(CC2)C(=O)C2CCC2)c2c(n1)cccc2

InChI:

InChI=1/C24H26N4O2/c1-30-19-11-9-17(10-12-19)22-25-21-8-3-2-7-20(21)23(26-22)27-13-15-28(16-14-27)24(29)18-5-4-6-18/h2-3,7-12,18H,4-6,13-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.805 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -6.14863	SlogP: 3.7541	Reactive groups: 0

Topological Properties
Globularity: 0.0633168	Sterimol/B1: 2.3283	Sterimol/B2: 3.81928	Sterimol/B3: 3.95786
Sterimol/B4: 13.1043	Sterimol/L: 16.3333

Surface and Volume Properties
Accessible surface: 688.431	Positive charged surface: 364.409	Negative charged surface: 163.282	Volume: 396.375
Hydrophobic surface: 616.857	Hydrophilic surface: 71.574

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.