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MMsINC code: MMs01672644

Type: Neutral
Formula: C₁₉H₂₄N₆O₂

SMILES:

O=C(N(C)C)c1ccc(NC(=O)CN2CCN(CC2)c2ncccn2)cc1

InChI:

InChI=1/C19H24N6O2/c1-23(2)18(27)15-4-6-16(7-5-15)22-17(26)14-24-10-12-25(13-11-24)19-20-8-3-9-21-19/h3-9H,10-14H2,1-2H3,(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.505 kcal/mol

Physical Properties
Molecular Weight: 368.441 g/mol	logS: -2.90019	SlogP: 0.9391	Reactive groups: 0

Topological Properties
Globularity: 0.0438016	Sterimol/B1: 3.08837	Sterimol/B2: 3.73545	Sterimol/B3: 3.75384
Sterimol/B4: 6.67225	Sterimol/L: 20.3402

Surface and Volume Properties
Accessible surface: 665.215	Positive charged surface: 538.117	Negative charged surface: 127.097	Volume: 354.125
Hydrophobic surface: 557.006	Hydrophilic surface: 108.209

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

MMs01672645
ENAMINE-ZINC06552836