MMsINC Database Search


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MMsINC code: MMs03189900

Type: Neutral
Formula: C₁₉H₃₅N₄P

SMILES:

P1(N(CC)CC)(=NC(C)(C)C)N(CCCN1C)Cc1ccccc1

InChI:

InChI=1/C19H35N4P/c1-7-22(8-2)24(20-19(3,4)5)21(6)15-12-16-23(24)17-18-13-10-9-11-14-18/h9-11,13-14H,7-8,12,15-17H2,1-6H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.571 kcal/mol

Physical Properties
Molecular Weight: 350.491 g/mol	logS: -1.91621	SlogP: 5.2821	Reactive groups: 0

Topological Properties
Globularity: 0.460088	Sterimol/B1: 2.93693	Sterimol/B2: 4.9651	Sterimol/B3: 5.14701
Sterimol/B4: 7.30747	Sterimol/L: 13.0173

Surface and Volume Properties
Accessible surface: 549.941	Positive charged surface: 406.501	Negative charged surface: 143.439	Volume: 365.75
Hydrophobic surface: 483.476	Hydrophilic surface: 66.465

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.