MMsINC Database Search


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MMsINC code: MMs01507356

Type: Neutral
Formula: C₁₉H₂₁N₃O₄

SMILES:

O(C(C(=O)NC(=O)NC)c1ccccc1)C(=O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H21N3O4/c1-20-19(25)21-17(23)16(13-7-5-4-6-8-13)26-18(24)14-9-11-15(12-10-14)22(2)3/h4-12,16H,1-3H3,(H2,20,21,23,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2521 kcal/mol

Physical Properties
Molecular Weight: 355.394 g/mol	logS: -3.86302	SlogP: 2.2018	Reactive groups: 0

Topological Properties
Globularity: 0.0716588	Sterimol/B1: 2.43591	Sterimol/B2: 3.9528	Sterimol/B3: 4.36134
Sterimol/B4: 9.23839	Sterimol/L: 18.9698

Surface and Volume Properties
Accessible surface: 643.117	Positive charged surface: 449.156	Negative charged surface: 193.961	Volume: 339.125
Hydrophobic surface: 518.251	Hydrophilic surface: 124.866

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.