MMsINC Database Search


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MMsINC code: MMs02700714

Type: Neutral
Formula: C₂₃H₁₈N₄

SMILES:

n1c-2c(ccc1)C(c1c-2nccc1)(Cc1ccncc1)Cc1ccncc1

InChI:

InChI=1/C23H18N4/c1-3-19-21(26-9-1)22-20(4-2-10-27-22)23(19,15-17-5-11-24-12-6-17)16-18-7-13-25-14-8-18/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.662 kcal/mol

Physical Properties
Molecular Weight: 350.425 g/mol	logS: -2.90849	SlogP: 4.01844	Reactive groups: 0

Topological Properties
Globularity: 0.295457	Sterimol/B1: 2.5526	Sterimol/B2: 3.64623	Sterimol/B3: 4.72041
Sterimol/B4: 9.41936	Sterimol/L: 13.1386

Surface and Volume Properties
Accessible surface: 542.321	Positive charged surface: 403.574	Negative charged surface: 138.747	Volume: 344.5
Hydrophobic surface: 482.21	Hydrophilic surface: 60.111

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.