MMsINC Database Search


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MMsINC code: MMs02229316

Type: Neutral
Formula: C₂₃H₁₉N

SMILES:

[nH]1c(-c2ccccc2)c(cc1-c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H19N/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)24-23(21)20-14-8-3-9-15-20/h1-15,17,24H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.394 kcal/mol

Physical Properties
Molecular Weight: 309.412 g/mol	logS: -6.42139	SlogP: 5.93947	Reactive groups: 0

Topological Properties
Globularity: 0.117305	Sterimol/B1: 2.25754	Sterimol/B2: 2.97396	Sterimol/B3: 5.30013
Sterimol/B4: 8.71013	Sterimol/L: 14.7257

Surface and Volume Properties
Accessible surface: 576.156	Positive charged surface: 318.008	Negative charged surface: 258.147	Volume: 328.875
Hydrophobic surface: 554.73	Hydrophilic surface: 21.426

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: 1

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Ions/Tautomers related molecules: no related molecules available.