MMsINC Database Search


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MMsINC code: MMs02815710

Type: Neutral
Formula: C₁₅H₂₅N₅O₂

SMILES:

O=C1N(C)C(=O)N(c2nc(n(c12)C)N(CC)CC)CCCC

InChI:

InChI=1/C15H25N5O2/c1-6-9-10-20-12-11(13(21)18(5)15(20)22)17(4)14(16-12)19(7-2)8-3/h6-10H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.5827 kcal/mol

Physical Properties
Molecular Weight: 307.398 g/mol	logS: -2.9161	SlogP: 2.4376	Reactive groups: 0

Topological Properties
Globularity: 0.124117	Sterimol/B1: 2.39706	Sterimol/B2: 2.87629	Sterimol/B3: 5.04802
Sterimol/B4: 9.85843	Sterimol/L: 12.6499

Surface and Volume Properties
Accessible surface: 564.446	Positive charged surface: 444.337	Negative charged surface: 120.109	Volume: 306.5
Hydrophobic surface: 411.989	Hydrophilic surface: 152.457

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.