MMsINC Database Search


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MMsINC code: MMs01275052

Type: Neutral
Formula: C₁₉H₂₄N₄O

SMILES:

O=C(NCCc1ccccc1)CN1CCN(CC1)c1ncccc1

InChI:

InChI=1/C19H24N4O/c24-19(21-11-9-17-6-2-1-3-7-17)16-22-12-14-23(15-13-22)18-8-4-5-10-20-18/h1-8,10H,9,11-16H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.113 kcal/mol

Physical Properties
Molecular Weight: 324.428 g/mol	logS: -2.41408	SlogP: 1.56247	Reactive groups: 0

Topological Properties
Globularity: 0.0400426	Sterimol/B1: 2.88778	Sterimol/B2: 3.3134	Sterimol/B3: 4.04606
Sterimol/B4: 6.09951	Sterimol/L: 20.2991

Surface and Volume Properties
Accessible surface: 627.724	Positive charged surface: 454.243	Negative charged surface: 173.481	Volume: 333
Hydrophobic surface: 561.419	Hydrophilic surface: 66.305

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

MMs01275053
ENAMINE-ZINC02650454