MMsINC Database Search


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MMsINC code: MMs00563530

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O=C1N(C)C(=O)N(c2c1c(n(c2)-c1ncccc1)-c1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C23H24N4O2/c1-23(2,3)16-11-9-15(10-12-16)20-19-17(25(4)22(29)26(5)21(19)28)14-27(20)18-8-6-7-13-24-18/h6-14H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.59 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -5.35489	SlogP: 4.4786	Reactive groups: 0

Topological Properties
Globularity: 0.0472849	Sterimol/B1: 3.05459	Sterimol/B2: 4.01023	Sterimol/B3: 6.31329
Sterimol/B4: 7.29815	Sterimol/L: 15.9745

Surface and Volume Properties
Accessible surface: 634.797	Positive charged surface: 437.603	Negative charged surface: 197.194	Volume: 380.5
Hydrophobic surface: 496.779	Hydrophilic surface: 138.018

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.