MMsINC Database Search


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MMsINC code: MMs02815223

Type: Neutral
Formula: C₂₃H₂₁N₃

SMILES:

n1cc2c(cc1)c(c1n(c3c(c1c2C)c(c1c(ccnc1)c3C)C)C)C

InChI:

InChI=1/C23H21N3/c1-12-18-10-24-8-6-16(18)14(3)22-20(12)21-13(2)19-11-25-9-7-17(19)15(4)23(21)26(22)5/h6-11H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.246 kcal/mol

Physical Properties
Molecular Weight: 339.442 g/mol	logS: -5.92373	SlogP: 6.02078	Reactive groups: 0

Topological Properties
Globularity: 0.0411476	Sterimol/B1: 2.57004	Sterimol/B2: 2.59317	Sterimol/B3: 4.13928
Sterimol/B4: 7.61588	Sterimol/L: 16.4649

Surface and Volume Properties
Accessible surface: 546.697	Positive charged surface: 370.419	Negative charged surface: 149.81	Volume: 340.875
Hydrophobic surface: 514.663	Hydrophilic surface: 32.034

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.