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MMsINC code: MMs02942900

Type: Neutral
Formula: C₂₁H₂₇N₃O₃

SMILES:

O(C)c1cc(NC(=O)NC2CCN(CC2)Cc2ccccc2)ccc1OC

InChI:

InChI=1/C21H27N3O3/c1-26-19-9-8-18(14-20(19)27-2)23-21(25)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H2,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.571 kcal/mol

Physical Properties
Molecular Weight: 369.465 g/mol	logS: -3.74712	SlogP: 3.7563	Reactive groups: 0

Topological Properties
Globularity: 0.0854868	Sterimol/B1: 2.30746	Sterimol/B2: 3.10882	Sterimol/B3: 6.35316
Sterimol/B4: 7.11269	Sterimol/L: 19.4209

Surface and Volume Properties
Accessible surface: 684.675	Positive charged surface: 520.32	Negative charged surface: 164.356	Volume: 369.25
Hydrophobic surface: 601.44	Hydrophilic surface: 83.235

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02942901
PUBCHEM-ZINC02858830