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MMsINC code: MMs01944007

Type: Neutral
Formula: C₂₀H₁₈N₄O₂

SMILES:

O(C)c1cc2c([nH]c(C(=O)N3CCn4c5c(nc34)cccc5)c2C)cc1

InChI:

InChI=1/C20H18N4O2/c1-12-14-11-13(26-2)7-8-15(14)21-18(12)19(25)24-10-9-23-17-6-4-3-5-16(17)22-20(23)24/h3-8,11,21H,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2437 kcal/mol

Physical Properties
Molecular Weight: 346.39 g/mol	logS: -4.96684	SlogP: 3.76142	Reactive groups: 0

Topological Properties
Globularity: 0.0994832	Sterimol/B1: 2.22197	Sterimol/B2: 4.28764	Sterimol/B3: 6.35525
Sterimol/B4: 7.76725	Sterimol/L: 15.5559

Surface and Volume Properties
Accessible surface: 589.775	Positive charged surface: 386.012	Negative charged surface: 201.178	Volume: 326.875
Hydrophobic surface: 505.402	Hydrophilic surface: 84.373

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.