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MMsINC code: MMs02258981

Type: Neutral
Formula: C₁₅H₂₄N₄O₂

SMILES:

O=C(NC(CC(C)C)C(=O)NN)C(N)Cc1ccccc1

InChI:

InChI=1/C15H24N4O2/c1-10(2)8-13(15(21)19-17)18-14(20)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16-17H2,1-2H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.296 kcal/mol

Physical Properties
Molecular Weight: 292.383 g/mol	logS: -3.10175	SlogP: 0.07717	Reactive groups: 0

Topological Properties
Globularity: 0.112236	Sterimol/B1: 2.48056	Sterimol/B2: 3.03282	Sterimol/B3: 5.04094
Sterimol/B4: 8.60324	Sterimol/L: 15.115

Surface and Volume Properties
Accessible surface: 567.279	Positive charged surface: 364.445	Negative charged surface: 202.834	Volume: 298.875
Hydrophobic surface: 336.442	Hydrophilic surface: 230.837

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02258982
NCID-ZINC01607143