MMsINC Database Search


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MMsINC code: MMs01844583

Type: Neutral
Formula: C₁₈H₂₀N₄O₂

SMILES:

O1Cc2c(nc3oc4c(ncnc4N4CCCC4)c3c2)CC1(C)C

InChI:

InChI=1/C18H20N4O2/c1-18(2)8-13-11(9-23-18)7-12-14-15(24-17(12)21-13)16(20-10-19-14)22-5-3-4-6-22/h7,10H,3-6,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.264 kcal/mol

Physical Properties
Molecular Weight: 324.384 g/mol	logS: -4.95337	SlogP: 3.48887	Reactive groups: 0

Topological Properties
Globularity: 0.0372879	Sterimol/B1: 2.76482	Sterimol/B2: 2.98819	Sterimol/B3: 3.91161
Sterimol/B4: 6.66746	Sterimol/L: 17.301

Surface and Volume Properties
Accessible surface: 559.095	Positive charged surface: 425.083	Negative charged surface: 128.044	Volume: 306.625
Hydrophobic surface: 381.719	Hydrophilic surface: 177.376

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.