MMsINC Database Search


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MMsINC code: MMs02238332

Type: Neutral
Formula: C₂₄H₂₃N₃

SMILES:

[nH]1cc(c2c1cccc2)CC1N(CCN1c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23N3/c1-3-9-20(10-4-1)26-15-16-27(21-11-5-2-6-12-21)24(26)17-19-18-25-23-14-8-7-13-22(19)23/h1-14,18,24-25H,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=234.275 kcal/mol

Physical Properties
Molecular Weight: 353.469 g/mol	logS: -5.18288	SlogP: 5.06327	Reactive groups: 0

Topological Properties
Globularity: 0.192138	Sterimol/B1: 3.07871	Sterimol/B2: 3.89127	Sterimol/B3: 4.99948
Sterimol/B4: 8.10603	Sterimol/L: 13.3683

Surface and Volume Properties
Accessible surface: 579.891	Positive charged surface: 356.966	Negative charged surface: 220.02	Volume: 361.125
Hydrophobic surface: 523.729	Hydrophilic surface: 56.162

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

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Ions/Tautomers related molecules: no related molecules available.