MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00959706

Type: Neutral
Formula: C₂₄H₁₈N₄O₃

SMILES:

O=C1N(Cc2ccccc2)C(=O)N(c2c1cccc2)CC=1N=C2N(C=CC=C2)C(=O)C=1

InChI:

InChI=1/C24H18N4O3/c29-22-14-18(25-21-12-6-7-13-26(21)22)16-27-20-11-5-4-10-19(20)23(30)28(24(27)31)15-17-8-2-1-3-9-17/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2181 kcal/mol

Physical Properties
Molecular Weight: 410.433 g/mol	logS: -5.68992	SlogP: 3.7435	Reactive groups: 0

Topological Properties
Globularity: 0.0914347	Sterimol/B1: 3.56314	Sterimol/B2: 4.34745	Sterimol/B3: 4.57593
Sterimol/B4: 8.03219	Sterimol/L: 17.6171

Surface and Volume Properties
Accessible surface: 645.495	Positive charged surface: 362.305	Negative charged surface: 283.19	Volume: 380.125
Hydrophobic surface: 533.244	Hydrophilic surface: 112.251

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.