MMsINC Database Search


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MMsINC code: MMs03242104

Type: Neutral
Formula: C₂₃H₁₇N

SMILES:

n1cc(c(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H17N/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)24-17-22(21)19-12-6-2-7-13-19/h1-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.462 kcal/mol

Physical Properties
Molecular Weight: 307.396 g/mol	logS: -7.37468	SlogP: 6.0826	Reactive groups: 0

Topological Properties
Globularity: 0.047212	Sterimol/B1: 2.46994	Sterimol/B2: 2.97173	Sterimol/B3: 3.6551
Sterimol/B4: 8.40885	Sterimol/L: 16.1155

Surface and Volume Properties
Accessible surface: 562.045	Positive charged surface: 313.549	Negative charged surface: 235.81	Volume: 321
Hydrophobic surface: 548.118	Hydrophilic surface: 13.927

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.