MMsINC Database Search


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MMsINC code: MMs01827999

Type: Tautomer
Formula: C₂₄H₁₈N₂

SMILES:

n1c2c(n(Cc3cc4c(cc3)cccc4)c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H18N2/c1-2-9-20(10-3-1)24-25-22-12-6-7-13-23(22)26(24)17-18-14-15-19-8-4-5-11-21(19)16-18/h1-16H,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.876 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -8.03003	SlogP: 6.1712	Reactive groups: 0

Topological Properties
Globularity: 0.155396	Sterimol/B1: 2.19944	Sterimol/B2: 3.71675	Sterimol/B3: 3.89128
Sterimol/B4: 9.95502	Sterimol/L: 14.7203

Surface and Volume Properties
Accessible surface: 572.199	Positive charged surface: 308.837	Negative charged surface: 253.748	Volume: 341.5
Hydrophobic surface: 541.551	Hydrophilic surface: 30.648

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: 0

search links for this molecule:

Parent related molecule:

MMs01827998
IBS-ZINC02303826