MMsINC Database Search


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MMsINC code: MMs01949696

Type: Neutral
Formula: C₂₄H₁₉N₃O₂

SMILES:

O1c2cc(ccc2OC1)-c1nc2n(c1)-c1c(N2Cc2ccc(cc2)C)cccc1

InChI:

InChI=1/C24H19N3O2/c1-16-6-8-17(9-7-16)13-26-20-4-2-3-5-21(20)27-14-19(25-24(26)27)18-10-11-22-23(12-18)29-15-28-22/h2-12,14H,13,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.625 kcal/mol

Physical Properties
Molecular Weight: 381.435 g/mol	logS: -7.00658	SlogP: 5.49452	Reactive groups: 0

Topological Properties
Globularity: 0.0682185	Sterimol/B1: 2.14262	Sterimol/B2: 2.25123	Sterimol/B3: 5.54201
Sterimol/B4: 11.0592	Sterimol/L: 16.2062

Surface and Volume Properties
Accessible surface: 651.793	Positive charged surface: 385.878	Negative charged surface: 265.914	Volume: 367.75
Hydrophobic surface: 554.666	Hydrophilic surface: 97.127

Pharmacophoric Properties
Hydrogen bond donors: 0	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.