MMsINC Database Search


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MMsINC code: MMs01150612

Type: Neutral
Formula: C₂₀H₂₇N₃O₃

SMILES:

O=C1N(CN(C1)C(=O)CN(C(=O)C1CCC1)C(C)C)c1ccc(cc1)C

InChI:

InChI=1/C20H27N3O3/c1-14(2)22(20(26)16-5-4-6-16)12-18(24)21-11-19(25)23(13-21)17-9-7-15(3)8-10-17/h7-10,14,16H,4-6,11-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6721 kcal/mol

Physical Properties
Molecular Weight: 357.454 g/mol	logS: -3.4209	SlogP: 2.16482	Reactive groups: 0

Topological Properties
Globularity: 0.0912187	Sterimol/B1: 3.21451	Sterimol/B2: 5.24011	Sterimol/B3: 5.33493
Sterimol/B4: 5.35606	Sterimol/L: 17.589

Surface and Volume Properties
Accessible surface: 629.871	Positive charged surface: 319.81	Negative charged surface: 169.58	Volume: 358.875
Hydrophobic surface: 516.712	Hydrophilic surface: 113.159

Pharmacophoric Properties
Hydrogen bond donors: 0	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.