MMsINC Database Search


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MMsINC code: MMs00296558

Type: Neutral
Formula: C₂₃H₂₆N₄O₂

SMILES:

O(CCCC)c1ccc(cc1)\C=N\N(C)c1nc(nc(c1)C)-c1ccccc1O

InChI:

InChI=1/C23H26N4O2/c1-4-5-14-29-19-12-10-18(11-13-19)16-24-27(3)22-15-17(2)25-23(26-22)20-8-6-7-9-21(20)28/h6-13,15-16,28H,4-5,14H2,1-3H3/b24-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.334 kcal/mol

Physical Properties
Molecular Weight: 390.487 g/mol	logS: -6.02829	SlogP: 4.80682	Reactive groups: 0

Topological Properties
Globularity: 0.00522332	Sterimol/B1: 2.44752	Sterimol/B2: 2.49676	Sterimol/B3: 3.99442
Sterimol/B4: 7.11145	Sterimol/L: 23.4409

Surface and Volume Properties
Accessible surface: 739.339	Positive charged surface: 499.422	Negative charged surface: 234.221	Volume: 396.875
Hydrophobic surface: 629.01	Hydrophilic surface: 110.329

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.