MMsINC Database Search


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MMsINC code: MMs03212685

Type: Neutral
Formula: C₂₄H₃₀N₃+

SMILES:

[N+](C)(C)=C1C=CC(C=C1)C(c1ccc(N(C)C)cc1)c1ccc(NC)cc1

InChI:

InChI=1/C24H30N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,19,24-25H,1-5H3/q+1/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.953 kcal/mol

Physical Properties
Molecular Weight: 360.525 g/mol	logS: -4.62584	SlogP: 4.3815	Reactive groups: 0

Topological Properties
Globularity: 0.123617	Sterimol/B1: 2.53763	Sterimol/B2: 3.05818	Sterimol/B3: 4.39999
Sterimol/B4: 12.3632	Sterimol/L: 16.3466

Surface and Volume Properties
Accessible surface: 676.184	Positive charged surface: 550.681	Negative charged surface: 125.503	Volume: 391.5
Hydrophobic surface: 630.434	Hydrophilic surface: 45.75

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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: no related molecules available.