MMsINC Database Search


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MMsINC code: MMs01082696

Type: Neutral
Formula: C₂₀H₂₆N₄O₂

SMILES:

O=C(Nc1ccc(cc1)-c1ccc(NC(=O)CN(C)C)cc1)CN(C)C

InChI:

InChI=1/C20H26N4O2/c1-23(2)13-19(25)21-17-9-5-15(6-10-17)16-7-11-18(12-8-16)22-20(26)14-24(3)4/h5-12H,13-14H2,1-4H3,(H,21,25)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.177 kcal/mol

Physical Properties
Molecular Weight: 354.454 g/mol	logS: -4.01122	SlogP: 2.3538	Reactive groups: 0

Topological Properties
Globularity: 0.0330607	Sterimol/B1: 3.16194	Sterimol/B2: 3.73779	Sterimol/B3: 3.77263
Sterimol/B4: 4.78118	Sterimol/L: 22.6108

Surface and Volume Properties
Accessible surface: 678.1	Positive charged surface: 510.264	Negative charged surface: 155.711	Volume: 358.5
Hydrophobic surface: 596.035	Hydrophilic surface: 82.065

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: no related molecules available.