MMsINC Database Search


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MMsINC code: MMs03466413

Type: Neutral
Formula: C₂₄H₃₀N₄O₂

SMILES:

O(CCCCOc1ccc(cc1)C1=NCCN1C)c1ccc(cc1)C1=NCCN1C

InChI:

InChI=1/C24H30N4O2/c1-27-15-13-25-23(27)19-5-9-21(10-6-19)29-17-3-4-18-30-22-11-7-20(8-12-22)24-26-14-16-28(24)2/h5-12H,3-4,13-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.453 kcal/mol

Physical Properties
Molecular Weight: 406.53 g/mol	logS: -4.25102	SlogP: 3.3086	Reactive groups: 0

Topological Properties
Globularity: 0.0101421	Sterimol/B1: 2.50236	Sterimol/B2: 2.78902	Sterimol/B3: 4.03116
Sterimol/B4: 5.82636	Sterimol/L: 25.4652

Surface and Volume Properties
Accessible surface: 764.833	Positive charged surface: 604.358	Negative charged surface: 160.476	Volume: 416.625
Hydrophobic surface: 689.882	Hydrophilic surface: 74.951

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.