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MMsINC code: MMs02279984

Type: Neutral
Formula: C₂₀H₁₈N₄O₂

SMILES:

O=C1c2c(-c3nc4c(nc13)cc(cc4)C(=O)NCCN(C)C)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.519 kcal/mol

Physical Properties
Molecular Weight: 346.39 g/mol	logS: -3.70351	SlogP: 2.1326	Reactive groups: 0

Topological Properties
Globularity: 0.00917042	Sterimol/B1: 2.37061	Sterimol/B2: 3.77341	Sterimol/B3: 4.00437
Sterimol/B4: 4.855	Sterimol/L: 21.2785

Surface and Volume Properties
Accessible surface: 619.645	Positive charged surface: 407.947	Negative charged surface: 205.168	Volume: 329.75
Hydrophobic surface: 466.956	Hydrophilic surface: 152.689

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

MMs02279985
NCID-ZINC01636753