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MMsINC code: MMs02908774

Type: Neutral
Formula: C₁₅H₂₃N₃O₂

SMILES:

O=C(NC(C(=O)NCCN(C)C)C)c1cc(ccc1)C

InChI:

InChI=1/C15H23N3O2/c1-11-6-5-7-13(10-11)15(20)17-12(2)14(19)16-8-9-18(3)4/h5-7,10,12H,8-9H2,1-4H3,(H,16,19)(H,17,20)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9794 kcal/mol

Physical Properties
Molecular Weight: 277.368 g/mol	logS: -2.4026	SlogP: 0.79112	Reactive groups: 0

Topological Properties
Globularity: 0.0300094	Sterimol/B1: 2.58974	Sterimol/B2: 3.18337	Sterimol/B3: 4.49052
Sterimol/B4: 5.20031	Sterimol/L: 19.0402

Surface and Volume Properties
Accessible surface: 574.449	Positive charged surface: 412.154	Negative charged surface: 162.295	Volume: 288.625
Hydrophobic surface: 477.727	Hydrophilic surface: 96.722

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02908775
PUBCHEM-ZINC02668886