MMsINC Database Search


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MMsINC code: MMs01184000

Type: Neutral
Formula: C₁₈H₂₆N₄O

SMILES:

O=C(N(Cc1nccn1Cc1cc(ccc1C)C)C)NC(C)C

InChI:

InChI=1/C18H26N4O/c1-13(2)20-18(23)21(5)12-17-19-8-9-22(17)11-16-10-14(3)6-7-15(16)4/h6-10,13H,11-12H2,1-5H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8663 kcal/mol

Physical Properties
Molecular Weight: 314.433 g/mol	logS: -2.96645	SlogP: 3.63084	Reactive groups: 0

Topological Properties
Globularity: 0.199486	Sterimol/B1: 2.36895	Sterimol/B2: 3.43453	Sterimol/B3: 5.52574
Sterimol/B4: 9.18284	Sterimol/L: 14.924

Surface and Volume Properties
Accessible surface: 600.606	Positive charged surface: 429.307	Negative charged surface: 171.299	Volume: 332.75
Hydrophobic surface: 503.633	Hydrophilic surface: 96.973

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.