MMsINC Database Search


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MMsINC code: MMs00657148

Type: Neutral
Formula: C₂₃H₁₅N₃O₄

SMILES:

o1c2c(nc1-c1ccc(NC(=O)CN3C(=O)c4c(cccc4)C3=O)cc1)cccc2

InChI:

InChI=1/C23H15N3O4/c27-20(13-26-22(28)16-5-1-2-6-17(16)23(26)29)24-15-11-9-14(10-12-15)21-25-18-7-3-4-8-19(18)30-21/h1-12H,13H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6142 kcal/mol

Physical Properties
Molecular Weight: 397.39 g/mol	logS: -7.24683	SlogP: 3.7295	Reactive groups: 0

Topological Properties
Globularity: 0.0330963	Sterimol/B1: 2.3047	Sterimol/B2: 3.99741	Sterimol/B3: 4.30522
Sterimol/B4: 7.50796	Sterimol/L: 20.772

Surface and Volume Properties
Accessible surface: 668.412	Positive charged surface: 362.249	Negative charged surface: 306.163	Volume: 358.125
Hydrophobic surface: 508.678	Hydrophilic surface: 159.734

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.