MMsINC Database Search


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MMsINC code: MMs00286491

Type: Neutral
Formula: C₂₄H₁₇N

SMILES:

[nH]1c2c(cc(cc2)-c2ccccc2)c2cc(ccc12)-c1ccccc1

InChI:

InChI=1/C24H17N/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24(22)25-23)18-9-5-2-6-10-18/h1-16,25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.907 kcal/mol

Physical Properties
Molecular Weight: 319.407 g/mol	logS: -8.37422	SlogP: 6.6551	Reactive groups: 0

Topological Properties
Globularity: 3.82181e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.105	Sterimol/B3: 2.85257
Sterimol/B4: 8.17168	Sterimol/L: 17.8114

Surface and Volume Properties
Accessible surface: 586.772	Positive charged surface: 263.443	Negative charged surface: 291.055	Volume: 331.5
Hydrophobic surface: 563.902	Hydrophilic surface: 22.87

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.