MMsINC Database Search


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MMsINC code: MMs02874417

Type: Neutral
Formula: C₂₃H₁₇N

SMILES:

N(=C(c1ccccc1)c1ccccc1)c1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.174 kcal/mol

Physical Properties
Molecular Weight: 307.396 g/mol	logS: -7.2542	SlogP: 6.0089	Reactive groups: 0

Topological Properties
Globularity: 0.113783	Sterimol/B1: 3.17315	Sterimol/B2: 3.62854	Sterimol/B3: 3.89404
Sterimol/B4: 8.26461	Sterimol/L: 14.6501

Surface and Volume Properties
Accessible surface: 554.823	Positive charged surface: 303.762	Negative charged surface: 244.131	Volume: 319.875
Hydrophobic surface: 550.773	Hydrophilic surface: 4.05

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.