MMsINC Database Search


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MMsINC code: MMs00959623

Type: Neutral
Formula: C₂₄H₂₁N₃O₃

SMILES:

O=C1N(Cc2ccccc2)C(=O)N(c2c1cccc2)CC(=O)NCc1ccccc1

InChI:

InChI=1/C24H21N3O3/c28-22(25-15-18-9-3-1-4-10-18)17-26-21-14-8-7-13-20(21)23(29)27(24(26)30)16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2589 kcal/mol

Physical Properties
Molecular Weight: 399.45 g/mol	logS: -5.43429	SlogP: 4.1182	Reactive groups: 0

Topological Properties
Globularity: 0.0520616	Sterimol/B1: 3.02431	Sterimol/B2: 4.18921	Sterimol/B3: 4.42691
Sterimol/B4: 8.49323	Sterimol/L: 19.1074

Surface and Volume Properties
Accessible surface: 682.321	Positive charged surface: 393.111	Negative charged surface: 289.21	Volume: 383.875
Hydrophobic surface: 583.637	Hydrophilic surface: 98.684

Pharmacophoric Properties
Hydrogen bond donors: 1	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.