MMsINC Database Search


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MMsINC code: MMs01857862

Type: Neutral
Formula: C₂₄H₂₀N₄O₂

SMILES:

O=C1N(C)C(=O)N(c2c1c(n(c2)-c1c2c(cccc2N)ccc1)-c1ccccc1)C

InChI:

InChI=1/C24H20N4O2/c1-26-19-14-28(18-13-7-11-15-10-6-12-17(25)20(15)18)22(16-8-4-3-5-9-16)21(19)23(29)27(2)24(26)30/h3-14H,25H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.793 kcal/mol

Physical Properties
Molecular Weight: 396.45 g/mol	logS: -5.88095	SlogP: 4.5215	Reactive groups: 0

Topological Properties
Globularity: 0.17248	Sterimol/B1: 2.12779	Sterimol/B2: 3.86277	Sterimol/B3: 5.24318
Sterimol/B4: 10.2386	Sterimol/L: 14.9151

Surface and Volume Properties
Accessible surface: 616.04	Positive charged surface: 408.147	Negative charged surface: 202.965	Volume: 375.5
Hydrophobic surface: 524.815	Hydrophilic surface: 91.225

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

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Ions/Tautomers related molecules: no related molecules available.