MMsINC Database Search


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MMsINC code: MMs00956648

Type: Neutral
Formula: C₂₃H₁₉N₃O₃

SMILES:

O=C1N(c2ccccc2)C(=O)Nc2c1ccc(c2)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C23H19N3O3/c1-15-7-9-16(10-8-15)14-24-21(27)17-11-12-19-20(13-17)25-23(29)26(22(19)28)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,27)(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6706 kcal/mol

Physical Properties
Molecular Weight: 385.423 g/mol	logS: -6.04372	SlogP: 4.38372	Reactive groups: 0

Topological Properties
Globularity: 0.034576	Sterimol/B1: 2.10865	Sterimol/B2: 3.62025	Sterimol/B3: 3.62493
Sterimol/B4: 7.07115	Sterimol/L: 21.5503

Surface and Volume Properties
Accessible surface: 682.448	Positive charged surface: 379.825	Negative charged surface: 302.623	Volume: 362.5
Hydrophobic surface: 540.209	Hydrophilic surface: 142.239

Pharmacophoric Properties
Hydrogen bond donors: 2	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.