MMsINC Database Search


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MMsINC code: MMs02007560

Type: Neutral
Formula: C₂₆H₁₉N₃O

SMILES:

O=C(Nc1ccccc1-c1[nH]c2c(n1)cccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H19N3O/c30-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)29-22-11-5-4-10-21(22)25-27-23-12-6-7-13-24(23)28-25/h1-17H,(H,27,28)(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.814 kcal/mol

Physical Properties
Molecular Weight: 389.458 g/mol	logS: -8.88661	SlogP: 6.1492	Reactive groups: 0

Topological Properties
Globularity: 0.0116432	Sterimol/B1: 2.5476	Sterimol/B2: 2.90109	Sterimol/B3: 6.10445
Sterimol/B4: 7.65761	Sterimol/L: 17.6184

Surface and Volume Properties
Accessible surface: 662.986	Positive charged surface: 334.063	Negative charged surface: 317.852	Volume: 381.125
Hydrophobic surface: 607.801	Hydrophilic surface: 55.185

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.