MMsINC Database Search


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MMsINC code: MMs01179198

Type: Neutral
Formula: C₁₉H₂₀N₄O

SMILES:

O=C(N(C(C)c1ccccc1)Cc1nccn1C)c1ncccc1

InChI:

InChI=1/C19H20N4O/c1-15(16-8-4-3-5-9-16)23(14-18-21-12-13-22(18)2)19(24)17-10-6-7-11-20-17/h3-13,15H,14H2,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.875 kcal/mol

Physical Properties
Molecular Weight: 320.396 g/mol	logS: -2.51286	SlogP: 3.9398	Reactive groups: 0

Topological Properties
Globularity: 0.179899	Sterimol/B1: 2.06757	Sterimol/B2: 3.81804	Sterimol/B3: 5.90006
Sterimol/B4: 7.24729	Sterimol/L: 14.1168

Surface and Volume Properties
Accessible surface: 544.452	Positive charged surface: 374.306	Negative charged surface: 170.146	Volume: 320.75
Hydrophobic surface: 483.291	Hydrophilic surface: 61.161

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.