MMsINC Database Search


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MMsINC code: MMs03212926

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

O(C)c1cc(ccc1OC)CCNC(=O)CNc1cc(ccc1)C(=O)N

InChI:

InChI=1/C19H23N3O4/c1-25-16-7-6-13(10-17(16)26-2)8-9-21-18(23)12-22-15-5-3-4-14(11-15)19(20)24/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,20,24)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.064 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -3.53616	SlogP: 1.57347	Reactive groups: 0

Topological Properties
Globularity: 0.0458112	Sterimol/B1: 2.19711	Sterimol/B2: 3.78945	Sterimol/B3: 4.82033
Sterimol/B4: 7.26567	Sterimol/L: 22.0295

Surface and Volume Properties
Accessible surface: 669.476	Positive charged surface: 477.448	Negative charged surface: 192.027	Volume: 346.25
Hydrophobic surface: 475.28	Hydrophilic surface: 194.196

Pharmacophoric Properties
Hydrogen bond donors: 3	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.