MMsINC Database Search


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MMsINC code: MMs00753050

Type: Neutral
Formula: C₁₇H₂₅N₅O₃

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)CC(=O)NC1CCCCCCC1)C

InChI:

InChI=1/C17H25N5O3/c1-20-15-14(16(24)21(2)17(20)25)22(11-18-15)10-13(23)19-12-8-6-4-3-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,19,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1342 kcal/mol

Physical Properties
Molecular Weight: 347.419 g/mol	logS: -3.36248	SlogP: 2.0204	Reactive groups: 0

Topological Properties
Globularity: 0.109596	Sterimol/B1: 2.58537	Sterimol/B2: 4.0188	Sterimol/B3: 5.50997
Sterimol/B4: 6.07275	Sterimol/L: 15.5716

Surface and Volume Properties
Accessible surface: 592.222	Positive charged surface: 468.432	Negative charged surface: 123.79	Volume: 329.875
Hydrophobic surface: 473.319	Hydrophilic surface: 118.903

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.